Reaxys
PubChem
eMolecules
Reactions (13)
Substances (1)
Structure
Citations (5)
Structure/Compound Data Chemical Name: 2,2,2-trifluoro-N-[2-(4-iodo-2,5-dimethoxyphenyl)ethyl]acetamide Reaxys Registry Number: 7140038
CAS Registry Number: 159277-10-8 Type of Substance: isocyclic Molecular Formula: C12H13F3INO3
Linear Structure Formula: C12H13F3INO3
Molecular Weight: 403.14 InChI Key: ANNXCJDPSSBHSR-UHFFFAOYSA-N
1
N° of preparations All Preps | All Reactions
Available Data
N° of ref.
3 prep out of 13 reactions.
Identification Physical Data (2) Spectra (5)
5
Synthesize | Hide Details Find similar Chemical Names and Synonyms 2,2,2-trifluoro-N-[2-(4-iodo-2,5-dimethoxyphenyl)ethyl]acetamide, N-[2-(2,5-dimethoxy-4-iodophenyl)ethyl]-2,2,2-trifluoroacetamide, Ntrifluoroacetyl-2-(2,5-dimethoxy-4-iodophenyl)-1-aminoethane, 1-(2,5-dimethoxy-4-iodophenyl)-2-(trifluoroacetamido)ethane Identification Substance Label (4) Label
Reference
11
Theobald, Denis S.; Puetz, Michael; Schneider, Erhard; Maurer, Hans H.
Journal of Mass Spectrometry, 2006 , vol. 41, # 7 p. 872 - 886 Title/Abstract Full Text View citing articles Show Details
7
Trachsel, Daniel
Helvetica Chimica Acta, 2003 , vol. 86, # 8 p. 2754 - 2759 Title/Abstract Full Text View citing articles Show Details
36
Dowd; Herrick-Davis; Egan; DuPre; Smith; Teitler; Glennon
Journal of Medicinal Chemistry, 2000 , vol. 43, # 16 p. 3074 - 3084 Title/Abstract Full Text View citing articles Show Details
Nichols, David E.; Frescas, Stewart; Marona-Lewicka, Danuta; Huang, Xuemei; Roth, Bryan L.; et al.
Journal of Medicinal Chemistry, 1994 , vol. 37, # 25 p. 4346 - 4351 Title/Abstract Full Text View citing articles Show Details
9
Physical Data Melting Point (2) Melting Point
Solvent (Melting Point)
Reference
132 - 134 °C
ethanol
Dowd; Herrick-Davis; Egan; DuPre; Smith; Teitler; Glennon
Journal of Medicinal Chemistry, 2000 , vol. 43, # 16 p. 3074 - 3084 Title/Abstract Full Text View citing articles Show Details
137 °C
propan-2-ol ethyl acetate
Nichols, David E.; Frescas, Stewart; Marona-Lewicka, Danuta; Huang, Xuemei; Roth, Bryan L.; et al.
Journal of Medicinal Chemistry, 1994 , vol. 37, # 25 p. 4346 - 4351 Title/Abstract Full Text View citing articles Show Details
Spectra NMR Spectroscopy (2) Description (NMR Spectroscopy)
Nucleus (NMR Spectroscopy)
Solvents (NMR Spectroscopy)
Frequency (NMR Spectroscopy)
Chemical shifts
1H
CDCl3
300 MHz
Chemical shifts
1H
CDCl3
Reference Dowd; Herrick-Davis; Egan; DuPre; Smith; Teitler; Glennon
Journal of Medicinal Chemistry, 2000 , vol. 43, # 16 p. 3074 - 3084 Title/Abstract Full Text View citing articles Show Details
Nichols, David E.; Frescas, Stewart; Marona-Lewicka, Danuta; Huang, Xuemei; Roth, Bryan L.; et al.
Journal of Medicinal Chemistry, 1994 , vol. 37, # 25 p. 4346 - 4351 Title/Abstract Full Text View citing articles Show Details
IR Spectroscopy (1) Description (IR Spectroscopy)
Solvent (IR Spectroscopy)
Reference
Bands
film
Dowd; Herrick-Davis; Egan; DuPre; Smith; Teitler; Glennon
Journal of Medicinal Chemistry, 2000 , vol. 43, # 16 p. 3074 - 3084 Title/Abstract Full Text View citing articles Show Details
Mass Spectrometry (2) Description (Mass Spectrometry)
Reference
spectrum electron impact (EI) chemical ionization (CI)
Theobald, Denis S.; Puetz, Michael; Schneider, Erhard; Maurer, Hans H.
Journal of Mass Spectrometry, 2006 , vol. 41, # 7 p. 872 - 886 Title/Abstract Full Text View citing articles Show Details
fragmentation pattern
Theobald, Denis S.; Puetz, Michael; Schneider, Erhard; Maurer, Hans H.
Journal of Mass Spectrometry, 2006 , vol. 41, # 7 p. 872 - 886 Title/Abstract Full Text View citing articles Show Details