Reaxys
PubChem
eMolecules
Reactions (112)
Substances (1)
Structure
Citations (77)
Structure/Compound Data Chemical Name: 2-nitro-1-phenylpropan-1-ol Reaxys Registry Number: 2263593
CAS Registry Number: 26251-08-1, 26251-09-2, 38316-08-4, 38316-09-5, 6343-57-3 Type of Substance: isocyclic Molecular Formula: C9H11NO3
Linear Structure Formula: C9H11NO3
Molecular Weight: 181.191 InChI Key: JGYVPZIKTZGAAD-UHFFFAOYSA-N
1
N° of preparations All Preps | All Reactions
Available Data
N° of ref.
12 prep out of 112 reactions.
Identification Physical Data (4) Spectra (15)
77
Synthesize | Hide Details Find similar Chemical Names and Synonyms 2-nitro-1-phenylpropan-1-ol, (1R*,2S*)-2-nitro-1-phenyl-1-propanol, 2-nitro-1-phenyl-1-propanol, 2-nitro-1-phenylpropanol, α-phenyl-β-methyl-βnitroethanol, 2-nitro-3-hydroxy-3-phenylpropane, 1-phenyl-2-nitro-propan-1-ol Identification Substance Label (11) Label
Reference
3b
Keithellakpam, Sanjoy; Laitonjam, Warjeet S.
Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2016 , vol. 55B, # 1 p. 110 - 113 Title/Abstract Full Text View citing articles Show Details
Keithellakpam, Sanjoy; Laitonjam, Warjeet S.
Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2016 , vol. 55B, # 1 p. 110 - 113 Title/Abstract Full Text Show Details
3
Shaikh, Melad; Sahu, Mahendra; Gavel, Pramod Kumar; Turpu, Goverdhan Reddy; Khilari, Santimoy; Pradhan, Debabrata; Ranganath, Kalluri V.S.
Catalysis Communications, 2016 , vol. 84, p. 89 - 92 Title/Abstract Full Text View citing articles Show Details
1
Bulbule, Vivek J.; Deshpande, Vishnu H.; Velu, Subramani; Sudalai, Arumugam; Sivasankar; Sathe
Tetrahedron, 1999 , vol. 55, # 30 p. 9325 - 9332 Title/Abstract Full Text View citing articles Show Details
Ai, Wensi; Shi, Ronghua; Zhu, Liyan; Jiang, Dehong; Ma, Xiaobo; Yuan, Jilan; Wang, Zhouyu
RSC Advances, 2015 , vol. 5, # 31 p. 24044 - 24048 Title/Abstract Full Text View citing articles Show Details
1h
Elmaaty, Tarek Abou; Castle, Lyle W.
Molecules, 2005 , vol. 10, # 12 p. 1458 - 1461 Title/Abstract Full Text View citing articles Show Details
Shi, Ronghua; Ai, Wensi; He, Tao; Ma, Xiaobo; Qian, Shan; Wang, Zhouyu
Letters in Organic Chemistry, 2015 , vol. 12, # 10 p. 720 - 726 Title/Abstract Full Text View citing articles Show Details
S12
Yamanaka, Takuto; Kondoh, Azusa; Terada, Masahiro
Journal of the American Chemical Society, 2015 , vol. 137, # 3 p. 1048 - 1051 Title/Abstract Full Text View citing articles Show Details
Tab3, product, run 3
Oriyama, Takeshi; Aoyagi, Masaru; Iwanami, Katsuyuki
Chemistry Letters, 2007 , vol. 36, # 5 p. 612 - 613 Title/Abstract Full Text View citing articles Show Details
4a
Cwik, Agnieszka; Fuchs, Aliz; Hell, Zoltan; Clacens, Jean-Marc
Tetrahedron, 2005 , vol. 61, # 16 p. 4015 - 4021 Title/Abstract Full Text View citing articles Show Details
1e
Kudoh, Takayuki; Ishikawa, Teruhiko; Shimizu, Yoshihiro; Saito, Seiki
Organic Letters, 2003 , vol. 5, # 21 p. 3875 - 3878 Title/Abstract Full Text View citing articles Show Details
1. interm. to 1g
Dumez, Estelle; Faure, Robert; Dulcere, Jean-Pierre
European Journal of Organic Chemistry, 2001 , # 13 p. 2577 - 2588 Title/Abstract Full Text View citing articles Show Details
table 1, entry 7
Bulbule; Jnaneshwara; Deshmukh; Borate; Deshpande
Synthetic Communications, 2001 , vol. 31, # 23 p. 3623 - 3626 Title/Abstract Full Text View citing articles Show Details
3a
Caldarelli, Marina; Habermann, Joerg; Ley, Steven V.
Journal of the Chemical Society - Perkin Transactions 1, 1999 , # 2 p. 107 - 110 Title/Abstract Full Text View citing articles Show Details
Patent-Specific Data (1) Location in Patent
Reference
Claim
Amvac Chemical Corporation
Patent: EP960876 A1, 1999 ; Title/Abstract Full Text Show Details
Amvac Chemical Corporation
Patent: US5750802 A1, 1998 ; Title/Abstract Full Text Show Details
West; Daniel David
Patent: US5962737 A1, 1999 ; Title/Abstract Full Text Show Details
International Minerals and Chemical Corporation
Patent: US4224246 A1, 1980 ; Title/Abstract Full Text Show Details
Physical Data Boiling Point (1) Boiling Point
Pressure (Boiling Point)
Comment (Boiling Point)
Reference
123 - 124 °C
4 Torr
gelbliches Oel.
Kanao
Yakugaku Zasshi, 1927 , # 540 p. 18 Chem. Zentralbl., 1927 , vol. 98, # I p. 2539 Full Text View citing articles Show Details
Nagai; Kanao
Justus Liebigs Annalen der Chemie, 1929 , vol. 470, p. 174 Chem. Zentralbl., 1928 , vol. 99, # II p. 2553 Full Text Show Details
Density (1) Density
Measurement Temperature
Reference
1.178 g·cm-3
15 °C
Kanao
Yakugaku Zasshi, 1927 , # 540 p. 18 Chem. Zentralbl., 1927 , vol. 98, # I p. 2539 Full Text View citing articles Show Details
Crystal Property Description (2) Colour & Other Properties
Reference
colourless
Keithellakpam, Sanjoy; Laitonjam, Warjeet S.
Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2016 , vol. 55B, # 1 p. 110 - 113 Title/Abstract Full Text View citing articles Show Details
Keithellakpam, Sanjoy; Laitonjam, Warjeet S.
Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2016 , vol. 55B, # 1 p. 110 - 113 Title/Abstract Full Text Show Details
blue
Takeda Pharmaceutical Company Limited
Patent: EP2005957 A1, 2008 ; Title/Abstract Full Text Show Details
Spectra NMR Spectroscopy (10) Description (NMR Spectroscopy)
Nucleus (NMR Spectroscopy)
Chemical shifts
Chemical shifts
Solvents (NMR Spectroscopy)
Frequency (NMR Spectroscopy)
1H
chloroform-d1
400 MHz
Keithellakpam, Sanjoy; Laitonjam, Warjeet S.
Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2016 , vol. 55B, # 1 p. 110 - 113 Title/Abstract Full Text View citing articles Show Details Keithellakpam, Sanjoy; Laitonjam, Warjeet S.
Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2016 , vol. 55B, # 1 p. 110 - 113 Title/Abstract Full Text Show Details
13C
chloroform-d1
100 MHz
Keithellakpam, Sanjoy; Laitonjam, Warjeet S.
Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2016 , vol. 55B, # 1 p. 110 - 113 Title/Abstract Full Text View citing articles Show Details Keithellakpam, Sanjoy; Laitonjam, Warjeet S.
Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2016 , vol. 55B, # 1 p. 110 - 113 Title/Abstract Full Text Show Details
1H
chloroform-d1
Coupling Nuclei
Original Text (NMR Spectroscopy)
1H-NMR
(CDCl3)
δ: 1.23-1.34 (3H, m), 2.562.70 (1H, m), 4.68-4.80 (1H, m), 5.01-5.42 (1H, m), 7.327.41 (5H, m)
Chemical shifts
1H
CDCl3
300 MHz
Signals
1.23 1.34 ppm 2.56 2.7 ppm 4.68 4.8 ppm 5.01 5.42 ppm 7.32 7.41 ppm
Kind of signal
3H, 1H, 1H, 1H, 5H,
m m m m m
Comment (NMR Spectroscopy)
Signals given
Reference
Takeda Pharmaceutical Company Limited
Patent: EP2005957 A1, 2008 ; Title/Abstract Full Text Show Details
two stereoisomers
Gorczynski, Michael J.; Huang, Jinming; Lee, Heather; King, S. Bruce
Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 7 p. 2013 - 2017 Title/Abstract Full Text View citing articles Show Details
Chemical shifts
1H
1H
1H
CDCl3
200 MHz
Bulbule, Vivek J.; Deshpande, Vishnu H.; Velu, Subramani; Sudalai, Arumugam; Sivasankar; Sathe
Tetrahedron, 1999 , vol. 55, # 30 p. 9325 9332 Title/Abstract Full Text View citing articles Show Details
CDCl3
200 MHz
Bulbule, Vivek J.; Deshpande, Vishnu H.; Velu, Subramani; Sudalai, Arumugam; Sivasankar; Sathe
Tetrahedron, 1999 , vol. 55, # 30 p. 9325 9332 Title/Abstract Full Text View citing articles Show Details
50.3 MHz
Bulbule, Vivek J.; Deshpande, Vishnu H.; Velu, Subramani; Sudalai, Arumugam; Sivasankar; Sathe
Tetrahedron, 1999 , vol. 55, # 30 p. 9325 9332 Title/Abstract Full Text View citing articles Show Details
Chemical shifts
13C
CDCl3
Chemical shifts
1H
CDCl3
Denmark, Scott E.; Kesler, Brenda S.; Moon, Young-Choon
Journal of Organic Chemistry, 1992 , vol. 57, # 18 p. 4912 - 4924 Title/Abstract Full Text View citing articles Show Details
Chemical shifts
13C
CDCl3
Denmark, Scott E.; Kesler, Brenda S.; Moon, Young-Choon
Journal of Organic Chemistry, 1992 , vol. 57, # 18 p. 4912 - 4924 Title/Abstract Full Text View citing articles Show Details
Spin-spin coupling constants
CDCl3
1H-1H
Denmark, Scott E.; Kesler, Brenda S.; Moon, Young-Choon
Journal of Organic Chemistry, 1992 , vol. 57, # 18 p. 4912 - 4924 Title/Abstract Full Text View citing articles Show Details
IR Spectroscopy (4) Description (IR Spectroscopy)
Solvent (IR Spectroscopy)
Bands
potassium bromide
Keithellakpam, Sanjoy; Laitonjam, Warjeet S.
Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2016 , vol. 55B, # 1 p. 110 - 113 Title/Abstract Full Text View citing articles Show Details Keithellakpam, Sanjoy; Laitonjam, Warjeet S. Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2016 , vol. 55B, # 1 p. 110 - 113 Title/Abstract Full Text Show Details
Bands
neat (no solvent)
Bulbule, Vivek J.; Deshpande, Vishnu H.; Velu, Subramani; Sudalai, Arumugam; Sivasankar; Sathe
Tetrahedron, 1999 , vol. 55, # 30 p. 9325 - 9332 Title/Abstract Full Text View citing articles Show Details
Bands
CCl4
Spectrum
Mass Spectrometry (1)
Comment (IR Spectroscopy)
3619 - 1360 cm**(-1)
Reference
Denmark, Scott E.; Kesler, Brenda S.; Moon, Young-Choon
Journal of Organic Chemistry, 1992 , vol. 57, # 18 p. 4912 - 4924 Title/Abstract Full Text View citing articles Show Details
Belzecki,C.
Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques, 1963 , vol. 11, p. 121 127 Full Text View citing articles Show Details
Belzecki,C.
Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques, 1963 , vol. 11, p. 175 180 Full Text View citing articles Show Details
Description (Mass Spectrometry)
Reference
spectrum
Bulbule, Vivek J.; Deshpande, Vishnu H.; Velu, Subramani; Sudalai, Arumugam; Sivasankar; Sathe
Tetrahedron, 1999 , vol. 55, # 30 p. 9325 - 9332 Title/Abstract Full Text View citing articles Show Details