Reaxys
PubChem
eMolecules
Reactions (80)
Substances (9)
Structure
Citations (10)
Structure/Compound Data Chemical Name: 2,5-dimethoxy-4-methylsulfidebenzaldehyde Reaxys Registry Number: 2210012
CAS Registry Number: 61638-04-8 Type of Substance: isocyclic Molecular Formula: C10H12O3S Linear Structure Formula: C10H12O3S Molecular Weight: 212.269
InChI Key: IRQXDQKWXGOSEM-UHFFFAOYSA-N
1
N° of preparations All Preps | All Reactions
Available Data
N° of ref.
10 prep out of 29 reactions.
Identification Physical Data (6) Spectra (2)
7
Synthesize | Hide Details Find similar Chemical Names and Synonyms 2,5-dimethoxy-4-methylsulfidebenzaldehyde, 2,5-dimethoxy-4-methylthiobenzaldehyde, 2,5-Dimethoxy-4-methylthiobenzaldehyd Identification Substance Label (6) Label
Reference
11
Huang, Yi-Chao; Guan, Chao-Jian; Tan, Xiang-Long; Chen, Chen-Chen; Guo, Qing-Xiang; Li, Yi-Ming
Organic and Biomolecular Chemistry, 2015 , vol. 13, # 5 p. 1500 - 1506 Title/Abstract Full Text View citing articles Show Details
5a
Gallardo-Godoy, Alejandra; Fierro, Angelica; McLean, Thomas H.; Castillo, Mariano; Cassels, Bruce K.; Reyes-Parada, Miguel; Nichols, David E.
Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2407 - 2419 Title/Abstract Full Text View citing articles Show Details
4b
Schwartz, John A.
Synthetic Communications, 1986 , vol. 16, # 5 p. 565 - 570 Title/Abstract Full Text Show Details
Bsp. 6, S. 16
Bristol Myers
Patent: US4105695 , 1978 ; Full Text Show Details
12a
Jacob III; Anderson III; Meshul; Shulgin; Castagnoli Jr.
Journal of Medicinal Chemistry, 1977 , vol. 20, # 10 p. 1235 - 1239 Title/Abstract Full Text View citing articles Show Details
IX
Nichols; Shulgin
Journal of Pharmaceutical Sciences, 1976 , vol. 65, # 10 p. 1554 - 1556 Title/Abstract Full Text View citing articles Show Details
Derivative (1) Comment (Derivative)
Reference
Ylidinmalonnitril-Derv.: F: 185-186grad
Bristol Myers
Patent: US4105695 , 1978 ; Full Text Show Details
Physical Data Melting Point (4) Melting Point
Solvent (Melting Point)
Reference
94.5 - 95.5 °C
propan-2-ol
Schwartz, John A.
Synthetic Communications, 1986 , vol. 16, # 5 p. 565 - 570 Title/Abstract Full Text Show Details
Bristol Myers
Patent: US4105695 , 1978 ;
99 - 100 °C
Full Text Show Details
97.5 - 98.5 °C
methanol
Jacob III; Anderson III; Meshul; Shulgin; Castagnoli Jr.
Journal of Medicinal Chemistry, 1977 , vol. 20, # 10 p. 1235 - 1239 Title/Abstract Full Text View citing articles Show Details
99 - 100 °C
methanol H2O
Nichols; Shulgin
Journal of Pharmaceutical Sciences, 1976 , vol. 65, # 10 p. 1554 - 1556 Title/Abstract Full Text View citing articles Show Details
Crystal Property Description (2) Colour & Other Properties brown
Location
Reference
supporting information
Huang, Yi-Chao; Guan, Chao-Jian; Tan, Xiang-Long; Chen, Chen-Chen; Guo, Qing-Xiang; Li, Yi-Ming
Organic and Biomolecular Chemistry, 2015 , vol. 13, # 5 p. 1500 - 1506 Title/Abstract Full Text View citing articles Show Details
yellow
Gallardo-Godoy, Alejandra; Fierro, Angelica; McLean, Thomas H.; Castillo, Mariano; Cassels, Bruce K.; Reyes-Parada, Miguel; Nichols, David E.
Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2407 - 2419 Title/Abstract Full Text View citing articles Show Details
Spectra NMR Spectroscopy (2) Description (NMR Spectroscopy) NMR
Nucleus (NMR Spectroscopy)
Reference Bristol Myers
Patent: US4105695 , 1978 ; Full Text Show Details
Chemical shifts
Jacob III; Anderson III; Meshul; Shulgin; Castagnoli Jr.
Journal of Medicinal Chemistry, 1977 , vol. 20, # 10 p. 1235 - 1239 Title/Abstract Full Text View citing articles Show Details
Nichols; Shulgin
Journal of Pharmaceutical Sciences, 1976 , vol. 65, # 10 p. 1554 - 1556 Title/Abstract Full Text View citing articles Show Details
1H
Chemical Name: 4-ethylsulfanyl-2,5-dimethoxybenzaldehyde
2
Reaxys Registry Number: 9192497
CAS Registry Number: 132184-34-0 Type of Substance: isocyclic Molecular Formula: C11H14O3S Linear Structure Formula: C11H14O3S Molecular Weight: 226.296
InChI Key: NLFKCRKWYGOBKL-UHFFFAOYSA-N
4 prep out of 14 reactions.
Identification Physical Data (1) Spectra (3)
3
Synthesize | Hide Details Find similar Chemical Names and Synonyms 4-ethylsulfanyl-2,5-dimethoxybenzaldehyde, 2,5-dimethoxy-4-(ethylthio)benzaldehyde, 2,5-dimethoxy-4-ethylthiobenzaldehyde Identification Substance Label (2) Label
Reference
5b
Gallardo-Godoy, Alejandra; Fierro, Angelica; McLean, Thomas H.; Castillo, Mariano; Cassels, Bruce K.; Reyes-Parada, Miguel; Nichols, David E.
Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2407 - 2419 Title/Abstract Full Text View citing articles Show Details
5
Rezende, Marcos Caroli; Nunez, Christian; Sepulveda-Boza, Silvia; Cassels, Bruce K.; Hurtado-Guzman, Claudio
Synthetic Communications, 2002 , vol. 32, # 17 p. 2741 - 2750 Title/Abstract Full Text View citing articles Show Details
Physical Data Crystal Property Description (1)
Colour & Other Properties
Reference Gallardo-Godoy, Alejandra; Fierro, Angelica; McLean, Thomas H.; Castillo, Mariano; Cassels, Bruce K.; Reyes-Parada, Miguel; Nichols, David E.
Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2407 - 2419 Title/Abstract Full Text View citing articles Show Details
yellow
Spectra NMR Spectroscopy (2) Description (NMR Spectroscopy)
Nucleus (NMR Spectroscopy)
Coupling Nuclei
Solvents (NMR Spectroscopy)
1H
1H
CDCl3
Rezende, Marcos Caroli; Nunez, Christian; Sepulveda-Boza, Silvia; Cassels, Bruce K.; Hurtado-Guzman, Claudio
Synthetic Communications, 2002 , vol. 32, # 17 p. 2741 - 2750 Title/Abstract Full Text View citing articles Show Details
Chemical shifts
1H
CDCl3
Rezende, Marcos Caroli; Nunez, Christian; Sepulveda-Boza, Silvia; Cassels, Bruce K.; Hurtado-Guzman, Claudio
Synthetic Communications, 2002 , vol. 32, # 17 p. 2741 - 2750 Title/Abstract Full Text View citing articles Show Details
IR Spectroscopy (1)
Reference
Description (IR Spectroscopy)
Solvent (IR Spectroscopy)
Bands
KBr
Reference Rezende, Marcos Caroli; Nunez, Christian; Sepulveda-Boza, Silvia; Cassels, Bruce K.; HurtadoGuzman, Claudio
Synthetic Communications, 2002 , vol. 32, # 17 p. 2741 - 2750 Title/Abstract Full Text View citing articles Show Details
Chemical Name: 4-ethylsulfanyl-2,5-di([2H3]methoxy)benzaldehyde
1 prep out of 2 reactions.
Reaxys Registry Number: 11306117
Molecular Formula: C11H14O3S Linear Structure Formula: C11H8(2)H6O3S
3
Identification Physical Data (1) Spectra (5)
1
Molecular Weight: 232.249
InChI Key: NLFKCRKWYGOBKL-XERRXZQWSA-N
Synthesize | Hide Details Find similar Chemical Names and Synonyms 4-ethylsulfanyl-2,5-di([2H3]methoxy)benzaldehyde, 2,5-di([2H3]methoxy)-4-(ethylthio)benzaldehyde Identification Substance Label (1) Label
Reference
12a
Xu, Ya-Zhu; Chen, Chinpiao
Journal of Labelled Compounds and Radiopharmaceuticals, 2006 , vol. 49, # 13 p. 1187 - 1200 Title/Abstract Full Text View citing articles Show Details
Physical Data Melting Point (1) Melting Point
Reference
85 - 86 °C
Xu, Ya-Zhu; Chen, Chinpiao
Journal of Labelled Compounds and Radiopharmaceuticals, 2006 , vol. 49, # 13 p. 1187 - 1200 Title/Abstract Full Text View citing articles Show Details
Spectra NMR Spectroscopy (3) Description (NMR Spectroscopy)
Nucleus (NMR Spectroscopy)
Coupling Nuclei
Solvents (NMR Spectroscopy)
Frequency (NMR Spectroscopy)
Chemical shifts
1H
CDCl3
300 MHz
Xu, Ya-Zhu; Chen, Chinpiao
Journal of Labelled Compounds and Radiopharmaceuticals, 2006 , vol. 49, # 13 p. 1187 - 1200 Title/Abstract Full Text View citing articles Show Details
1H
1H
CDCl3
300 MHz
Xu, Ya-Zhu; Chen, Chinpiao
Journal of Labelled Compounds and Radiopharmaceuticals, 2006 , vol. 49, # 13 p. 1187 - 1200 Title/Abstract Full Text View citing articles Show Details
Chemical shifts
13C
CDCl3
75.5 MHz
Xu, Ya-Zhu; Chen, Chinpiao
Journal of Labelled Compounds and Radiopharmaceuticals, 2006 , vol. 49, # 13 p. 1187 - 1200 Title/Abstract Full Text View citing articles Show Details
Reference
IR Spectroscopy (1) Description (IR Spectroscopy)
Solvent (IR Spectroscopy)
Reference
Bands
film
Xu, Ya-Zhu; Chen, Chinpiao
Journal of Labelled Compounds and Radiopharmaceuticals, 2006 , vol. 49, # 13 p. 1187 - 1200 Title/Abstract Full Text View citing articles Show Details
Mass Spectrometry (1) Description (Mass Spectrometry)
Reference
spectrum fast atom bombardment (FAB)
Xu, Ya-Zhu; Chen, Chinpiao
Journal of Labelled Compounds and Radiopharmaceuticals, 2006 , vol. 49, # 13 p. 1187 - 1200 Title/Abstract Full Text View citing articles Show Details
Chemical Name: 2,5-dimethoxy-4-i-propylthiobenzaldehyde
4
Reaxys Registry Number: 9997869
CAS Registry Number: 849919-65-9 Type of Substance: isocyclic Molecular Formula: C12H16O3S Linear Structure Formula: C12H16O3S Molecular Weight: 240.323
InChI Key: JAVHFBUBBGOETF-UHFFFAOYSA-N
1 prep out of 3 reactions.
Identification Physical Data (1) Spectra (2)
1
Synthesize | Hide Details Find similar Chemical Names and Synonyms 2,5-dimethoxy-4-i-propylthiobenzaldehyde Identification Substance Label (1) Label
Reference
5f
Gallardo-Godoy, Alejandra; Fierro, Angelica; McLean, Thomas H.; Castillo, Mariano; Cassels, Bruce K.; Reyes-Parada, Miguel; Nichols, David E.
Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2407 - 2419 Title/Abstract Full Text View citing articles Show Details
Physical Data Crystal Property Description (1) Colour & Other Properties
Reference Gallardo-Godoy, Alejandra; Fierro, Angelica; McLean, Thomas H.; Castillo, Mariano; Cassels, Bruce K.; Reyes-Parada, Miguel; Nichols, David E.
Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2407 - 2419 Title/Abstract Full Text View citing articles Show Details
yellow
Spectra NMR Spectroscopy (2) Description (NMR Spectroscopy)
Nucleus (NMR Spectroscopy)
Coupling Nuclei
Chemical shifts
1H
1H
Solvents (NMR Spectroscopy)
Frequency (NMR Spectroscopy)
CDCl3
500 MHz
Gallardo-Godoy, Alejandra; Fierro, Angelica; McLean, Thomas H.; Castillo, Mariano; Cassels, Bruce K.; Reyes-Parada, Miguel; Nichols, David E.
Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2407 - 2419 Title/Abstract Full Text View citing articles Show Details
1H
CDCl3
500 MHz
Gallardo-Godoy, Alejandra; Fierro, Angelica; McLean, Thomas H.; Castillo,
Reference
Mariano; Cassels, Bruce K.; Reyes-Parada, Miguel; Nichols, David E.
Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2407 - 2419 Title/Abstract Full Text View citing articles Show Details
Chemical Name: 2,5-dimethoxy-4-propylsulfanyl-benzaldehyde
5
Reaxys Registry Number: 10000695
CAS Registry Number: 132184-35-1 Type of Substance: isocyclic Molecular Formula: C12H16O3S Linear Structure Formula: C12H16O3S Molecular Weight: 240.323
InChI Key: VZQMAHCKOWMLMU-UHFFFAOYSA-N
2 prep out of 11 reactions.
Identification Physical Data (1) Spectra (2)
2
Synthesize | Hide Details Find similar Chemical Names and Synonyms 2,5-dimethoxy-4-propylsulfanyl-benzaldehyde, 2,5-dimethoxy-4-(n-propylthio)benzaldehyde, 2,5-dimethoxy-4-n-propylthiobenzaldehyde Identification Substance Label (1) Label
Reference
5c
Gallardo-Godoy, Alejandra; Fierro, Angelica; McLean, Thomas H.; Castillo, Mariano; Cassels, Bruce K.; Reyes-Parada, Miguel; Nichols, David E.
Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2407 - 2419 Title/Abstract Full Text View citing articles Show Details
Physical Data Crystal Property Description (1) Colour & Other Properties
Reference Gallardo-Godoy, Alejandra; Fierro, Angelica; McLean, Thomas H.; Castillo, Mariano; Cassels, Bruce K.; Reyes-Parada, Miguel; Nichols, David E.
Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2407 - 2419 Title/Abstract Full Text View citing articles Show Details
yellow
Spectra NMR Spectroscopy (2) Description (NMR Spectroscopy)
Nucleus (NMR Spectroscopy)
Coupling Nuclei
Solvents (NMR Spectroscopy)
Frequency (NMR Spectroscopy)
1H
1H
CDCl3
500 MHz
Gallardo-Godoy, Alejandra; Fierro, Angelica; McLean, Thomas H.; Castillo, Mariano; Cassels, Bruce K.; Reyes-Parada, Miguel; Nichols, David E.
Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2407 - 2419 Title/Abstract Full Text View citing articles Show Details
Chemical shifts
1H
CDCl3
500 MHz
Gallardo-Godoy, Alejandra; Fierro, Angelica; McLean, Thomas H.; Castillo, Mariano; Cassels, Bruce K.; Reyes-Parada, Miguel; Nichols, David E.
Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2407 - 2419 Title/Abstract Full Text View citing articles Show Details
Reference
Chemical Name: 2,5-di([2H3]methoxy)-4-propylsulfanyl-benzaldehyde Reaxys Registry Number: 11306118
Molecular Formula: C12H16O3S Linear Structure Formula: C12H10(2)H6O3S Molecular Weight: 246.276
1 prep out of 2 reactions.
Identification Physical Data (2) Spectra (5)
1
6
InChI Key: VZQMAHCKOWMLMU-XERRXZQWSA-N
Synthesize | Hide Details Find similar Chemical Names and Synonyms 2,5-di([2H3]methoxy)-4-propylsulfanyl-benzaldehyde, 2,5-di([2H3]methoxy)-4-(n-propylthio)benzaldehyde Identification Substance Label (1) Label
Reference
12b
Xu, Ya-Zhu; Chen, Chinpiao
Journal of Labelled Compounds and Radiopharmaceuticals, 2006 , vol. 49, # 13 p. 1187 - 1200 Title/Abstract Full Text View citing articles Show Details
Physical Data Melting Point (1) Melting Point
Reference
82 - 83 °C
Xu, Ya-Zhu; Chen, Chinpiao
Journal of Labelled Compounds and Radiopharmaceuticals, 2006 , vol. 49, # 13 p. 1187 - 1200 Title/Abstract Full Text View citing articles Show Details
Crystal Property Description (1) Colour & Other Properties
Reference
yellow
Xu, Ya-Zhu; Chen, Chinpiao
Journal of Labelled Compounds and Radiopharmaceuticals, 2006 , vol. 49, # 13 p. 1187 - 1200 Title/Abstract Full Text View citing articles Show Details
Spectra NMR Spectroscopy (3) Description (NMR Spectroscopy)
Nucleus (NMR Spectroscopy)
Coupling Nuclei
Solvents (NMR Spectroscopy)
Frequency (NMR Spectroscopy)
Chemical shifts
1H
CDCl3
300 MHz
Xu, Ya-Zhu; Chen, Chinpiao
Journal of Labelled Compounds and Radiopharmaceuticals, 2006 , vol. 49, # 13 p. 1187 - 1200 Title/Abstract Full Text View citing articles Show Details
1H
1H
CDCl3
300 MHz
Xu, Ya-Zhu; Chen, Chinpiao
Journal of Labelled Compounds and Radiopharmaceuticals, 2006 , vol. 49, # 13 p. 1187 - 1200 Title/Abstract Full Text View citing articles Show Details
Chemical shifts
13C
CDCl3
75.5 MHz
Xu, Ya-Zhu; Chen, Chinpiao
Journal of Labelled Compounds and Radiopharmaceuticals, 2006 , vol. 49, # 13 p. 1187 - 1200 Title/Abstract Full Text View citing articles Show Details
Reference
IR Spectroscopy (1) Description (IR Spectroscopy)
Solvent (IR Spectroscopy)
Reference
Bands
KBr
Xu, Ya-Zhu; Chen, Chinpiao
Journal of Labelled Compounds and Radiopharmaceuticals, 2006 , vol. 49, # 13 p. 1187 - 1200 Title/Abstract Full Text View citing articles Show Details
Mass Spectrometry (1) Description (Mass Spectrometry)
Reference
spectrum fast atom bombardment (FAB)
Xu, Ya-Zhu; Chen, Chinpiao
Journal of Labelled Compounds and Radiopharmaceuticals, 2006 , vol. 49, # 13 p. 1187 - 1200 Title/Abstract Full Text View citing articles Show Details
Chemical Name: 2,5-Dimethoxy-4-[(2-methylpropyl)thio]benzaldehyd
7
Reaxys Registry Number: 9555725
CAS Registry Number: 648957-02-2 Type of Substance: isocyclic Molecular Formula: C13H18O3S Linear Structure Formula: C13H18O3S Molecular Weight: 254.35
InChI Key: SRTRFYNQJCAZKO-UHFFFAOYSA-N
2 prep out of 4 reactions.
Synthesize | Hide Details Find similar Chemical Names and Synonyms 2,5-Dimethoxy-4-[(2-methylpropyl)thio]benzaldehyd Identification Substance Label (1) Label
Reference
9f
Trachsel, Daniel
Helvetica Chimica Acta, 2003 , vol. 86, # 7 p. 2610 - 2619 Title/Abstract Full Text View citing articles Show Details
Physical Data Melting Point (1) Melting Point
Solvent (Melting Point)
Reference
72 - 73 °C
methanol
Trachsel, Daniel
Helvetica Chimica Acta, 2003 , vol. 86, # 7 p. 2610 - 2619 Title/Abstract Full Text View citing articles Show Details
Crystal Property Description (1) Colour & Other Properties
Reference
yellow - green
Trachsel, Daniel
Helvetica Chimica Acta, 2003 , vol. 86, # 7 p. 2610 - 2619 Title/Abstract Full Text View citing articles Show Details
Spectra NMR Spectroscopy (1) Description (NMR Spectroscopy)
Nucleus (NMR Spectroscopy)
Solvents (NMR Spectroscopy)
Frequency (NMR Spectroscopy)
Reference
Identification Physical Data (2) Spectra (1)
1
Chemical shifts
1H
CDCl3
300 MHz
Chemical Name: 2,5-dimethoxy-4-n-butylthiobenzaldehyde
8
Reaxys Registry Number: 9557038
CAS Registry Number: 648956-96-1 Type of Substance: isocyclic Molecular Formula: C13H18O3S Linear Structure Formula: C13H18O3S Molecular Weight: 254.35
InChI Key: KRPGTVMKAWMNLA-UHFFFAOYSA-N
Trachsel, Daniel
Helvetica Chimica Acta, 2003 , vol. 86, # 7 p. 2610 - 2619 Title/Abstract Full Text View citing articles Show Details
5 prep out of 9 reactions.
Identification Physical Data (3) Spectra (3)
Synthesize | Hide Details Find similar Chemical Names and Synonyms 2,5-dimethoxy-4-n-butylthiobenzaldehyde, 4-(Butylthio)-2,5-dimethoxybenzaldehyd Identification Substance Label (2) Label
Reference
5d
Gallardo-Godoy, Alejandra; Fierro, Angelica; McLean, Thomas H.; Castillo, Mariano; Cassels, Bruce K.; Reyes-Parada, Miguel; Nichols, David E.
Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2407 - 2419 Title/Abstract Full Text View citing articles Show Details
9c
Trachsel, Daniel
Helvetica Chimica Acta, 2003 , vol. 86, # 7 p. 2610 - 2619 Title/Abstract Full Text View citing articles Show Details
Physical Data Melting Point (1) Melting Point
Solvent (Melting Point)
72 - 73 °C
ethanol
Reference Gallardo-Godoy, Alejandra; Fierro, Angelica; McLean, Thomas H.; Castillo, Mariano; Cassels, Bruce K.; Reyes-Parada, Miguel; Nichols, David E.
Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2407 - 2419 Title/Abstract Full Text View citing articles Show Details
Crystal Property Description (2) Colour & Other Properties
Reference
yellow
Gallardo-Godoy, Alejandra; Fierro, Angelica; McLean, Thomas H.; Castillo, Mariano; Cassels, Bruce K.; Reyes-Parada, Miguel; Nichols, David E.
Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2407 - 2419 Title/Abstract Full Text View citing articles Show Details
green
Trachsel, Daniel
Helvetica Chimica Acta, 2003 , vol. 86, # 7 p. 2610 - 2619 Title/Abstract Full Text View citing articles Show Details
Spectra NMR Spectroscopy (3) Description
Nucleus (NMR
Coupling
Solvents
Frequency
2
(NMR Spectroscopy)
Spectroscopy)
Nuclei
(NMR Spectroscopy)
(NMR Spectroscopy)
Reference
Chemical shifts
1H
CDCl3
500 MHz
Gallardo-Godoy, Alejandra; Fierro, Angelica; McLean, Thomas H.; Castillo, Mariano; Cassels, Bruce K.; Reyes-Parada, Miguel; Nichols, David E.
Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2407 - 2419 Title/Abstract Full Text View citing articles Show Details
1H
1H
CDCl3
500 MHz
Gallardo-Godoy, Alejandra; Fierro, Angelica; McLean, Thomas H.; Castillo, Mariano; Cassels, Bruce K.; Reyes-Parada, Miguel; Nichols, David E.
Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2407 - 2419 Title/Abstract Full Text View citing articles Show Details
Chemical shifts
1H
CDCl3
300 MHz
Trachsel, Daniel
Helvetica Chimica Acta, 2003 , vol. 86, # 7 p. 2610 - 2619 Title/Abstract Full Text View citing articles Show Details
Chemical Name: 2,5-dimethoxy-4-n-pentylthiobenzaldehyde
9
Reaxys Registry Number: 10004639
CAS Registry Number: 849919-64-8 Type of Substance: isocyclic Molecular Formula: C14H20O3S Linear Structure Formula: C14H20O3S Molecular Weight: 268.377
InChI Key: JMOYFEGZFIBWIO-UHFFFAOYSA-N
4 prep out of 6 reactions.
Identification Physical Data (2) Spectra (2)
Synthesize | Hide Details Find similar Chemical Names and Synonyms 2,5-dimethoxy-4-n-pentylthiobenzaldehyde Identification Substance Label (1) Label
Reference
5e
Gallardo-Godoy, Alejandra; Fierro, Angelica; McLean, Thomas H.; Castillo, Mariano; Cassels, Bruce K.; Reyes-Parada, Miguel; Nichols, David E.
Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2407 - 2419 Title/Abstract Full Text View citing articles Show Details
Physical Data Melting Point (1) Melting Point
Solvent (Melting Point)
104 105 °C
ethanol
Reference Gallardo-Godoy, Alejandra; Fierro, Angelica; McLean, Thomas H.; Castillo, Mariano; Cassels, Bruce K.; Reyes-Parada, Miguel; Nichols, David E.
Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2407 - 2419 Title/Abstract Full Text View citing articles Show Details
Crystal Property Description (1) Colour & Other Properties yellow
Spectra NMR Spectroscopy (2)
Reference Gallardo-Godoy, Alejandra; Fierro, Angelica; McLean, Thomas H.; Castillo, Mariano; Cassels, Bruce K.; Reyes-Parada, Miguel; Nichols, David E.
Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2407 - 2419 Title/Abstract Full Text View citing articles Show Details
1
Description (NMR Spectroscopy)
Chemical shifts
Nucleus (NMR Spectroscopy)
Coupling Nuclei
Solvents (NMR Spectroscopy)
Frequency (NMR Spectroscopy)
1H
1H
CDCl3
500 MHz
Gallardo-Godoy, Alejandra; Fierro, Angelica; McLean, Thomas H.; Castillo, Mariano; Cassels, Bruce K.; Reyes-Parada, Miguel; Nichols, David E.
Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2407 - 2419 Title/Abstract Full Text View citing articles Show Details
CDCl3
500 MHz
Gallardo-Godoy, Alejandra; Fierro, Angelica; McLean, Thomas H.; Castillo, Mariano; Cassels, Bruce K.; Reyes-Parada, Miguel; Nichols, David E.
Journal of Medicinal Chemistry, 2005 , vol. 48, # 7 p. 2407 - 2419 Title/Abstract Full Text View citing articles Show Details
1H
Reference