Reaxys
PubChem
eMolecules
Reactions (31)
Substances (1)
Structure
Citations (10)
Structure/Compound Data Chemical Name: methyl α-acetylphenylacetate Reaxys Registry Number: 2835280
CAS Registry Number: 16648-44-5 Type of Substance: isocyclic Molecular Formula: C11H12O3
Linear Structure Formula: C11H12O3
Molecular Weight: 192.214 InChI Key: CYSACHQWYQYLIG-UHFFFAOYSA-N
1
N° of preparations All Preps | All Reactions
Available Data
N° of ref.
4 prep out of 31 reactions.
Identification Physical Data (6) Spectra (5)
10
Synthesize | Hide Details Find similar Chemical Names and Synonyms methyl α-acetylphenylacetate, methyl 3-oxo-2-phenylbutanoate, Methyl 3-oxo-2-phenylbutyrate Identification Substance Label (8) Label
Reference
2k
Wang, Dehong; Xu, Changming; Zhang, Long; Luo, Sanzhon
Organic Letters, 2015 , vol. 17, # 3 p. 576 - 579 Title/Abstract Full Text View citing articles Show Details
6a
Ashida, Yuichiro; Sato, Yuka; Suzuki, Takeyuki; Ueno, Kanako; Kai, Ken-Ichiro; Nakatsuji, Hidefumi; Tanabe, Yoo
Chemistry - A European Journal, 2015 , vol. 21, # 15 p. 5934 - 5945 Title/Abstract Full Text View citing articles Show Details
1j
Nakatsuji, Hidefumi; Ashida, Yuichiro; Hori, Hiroshi; Sato, Yuka; Honda, Atsushi; Taira, Mayu; Tanabe, Yoo
Organic and Biomolecular Chemistry, 2015 , vol. 13, # 30 p. 8205 - 8210 Title/Abstract Full Text View citing articles Show Details
3e
Raubo, Piotr; Ladwa, Neal
Synlett, 2012 , vol. 23, # 20 p. 2935 - 2938 Title/Abstract Full Text View citing articles Show Details
8
Thuring, Jan Willem J. F.; Van Gaal, Angelique A. M. A.; Hornes, Sander J.; De Kok, Margreet M.; Nefkens, Gerard H. L.; Zwanenburg, Binne
Journal of the Chemical Society - Perkin Transactions 1, 1997 , # 5 p. 767 - 774 Title/Abstract Full Text View citing articles Show Details
2a
Tomioka, Hideo; Hayashi, Norihiro; Asano, Tsuneo; Izawa, Yasuji
Bulletin of the Chemical Society of Japan, 1983 , vol. 56, # 3 p. 758 - 761 Title/Abstract Full Text Show Details
7c
Sawaki; Inoue; Ogata
Bulletin of the Chemical Society of Japan, 1983 , vol. 56, # 4 p. 1133 - 1138 Title/Abstract Full Text View citing articles Show Details
II
Aspro-Nicholas Ltd.
Patent: GB1088846 , 1963 ; Chem.Abstr., 1968 , vol. 68, # 105193x Full Text Show Details
Related Structure (1) Related Structure
Referenced Compound
Reference
The following tautomers are discussed: /BRN= 7635402/
(Z)-3-Hydroxy-2-phenyl-but-2enoic acid methyl ester
Thuring, Jan Willem J. F.; Van Gaal, Angelique A. M. A.; Hornes, Sander J.; De Kok, Margreet M.; Nefkens, Gerard H. L.; Zwanenburg, Binne
Journal of the Chemical Society - Perkin Transactions 1, 1997 , # 5 p. 767 - 774 Title/Abstract Full Text View citing articles Show Details
Physical Data Melting Point (1) Melting Point
Reference
58.5 - 59 °C
Aspro-Nicholas Ltd.
Patent: GB1088846 , 1963 ; Chem.Abstr., 1968 , vol. 68, # 105193x Full Text Show Details
Boiling Point (2) Boiling Point
Pressure (Boiling Point)
Reference
108 - 110 °C
0.75 Torr
Ashida, Yuichiro; Sato, Yuka; Suzuki, Takeyuki; Ueno, Kanako; Kai, Ken-Ichiro; Nakatsuji, Hidefumi; Tanabe, Yoo
Chemistry - A European Journal, 2015 , vol. 21, # 15 p. 5934 - 5945 Title/Abstract Full Text View citing articles Show Details
92 - 96 °C
0.6 Torr
Aspro-Nicholas Ltd.
Patent: GB1088846 , 1963 ; Chem.Abstr., 1968 , vol. 68, # 105193x Full Text Show Details
Chromatographic Data (1) Chromatographic data
Original string
Location
Reference
LC (Liquid chromatography)
LC-MS: tR=1.13/1.16 min
Page/Page column 194; 219
CARDIOXYL PHARMACEUTICALS, INC.; THE JOHNS HOPKINS UNIVERSITY; KALISH, Vincent, J.; BROOKFIELD, Frederick, A.; COURTNEY, Stephen, M.; FROST, Lisa, M.; TOSCANO, John, P.; GUTHRIE, Daryl, A.; NORTH, Carl, L.
Patent: WO2015/183839 A1, 2015 ; Title/Abstract Full Text Show Details
Crystal Property Description (2) Colour & Other
Location
Reference
Properties Ashida, Yuichiro; Sato, Yuka; Suzuki, Takeyuki; Ueno, Kanako; Kai, Ken-Ichiro; Nakatsuji, Hidefumi; Tanabe, Yoo
Chemistry - A European Journal, 2015 , vol. 21, # 15 p. 5934 - 5945 Title/Abstract Full Text View citing articles Show Details
colourless
yellow
Page/Page column 194; 219
CARDIOXYL PHARMACEUTICALS, INC.; THE JOHNS HOPKINS UNIVERSITY; KALISH, Vincent, J.; BROOKFIELD, Frederick, A.; COURTNEY, Stephen, M.; FROST, Lisa, M.; TOSCANO, John, P.; GUTHRIE, Daryl, A.; NORTH, Carl, L.
Patent: WO2015/183839 A1, 2015 ; Title/Abstract Full Text Show Details
Spectra NMR Spectroscopy (3) Description (NMR Spectroscopy)
Nucleus (NMR Spectroscopy)
Solvents (NMR Spectroscopy)
Chemical shifts
1H
Ashida, Yuichiro; Sato, Yuka; Suzuki, Takeyuki; Ueno, Kanako; Kai, Ken-Ichiro; Nakatsuji, Hidefumi; Tanabe, Yoo
Chemistry - A European Journal, 2015 , vol. 21, # 15 p. 5934 - 5945 Title/Abstract Full Text View citing articles Show Details
Chemical shifts
13C
Ashida, Yuichiro; Sato, Yuka; Suzuki, Takeyuki; Ueno, Kanako; Kai, Ken-Ichiro; Nakatsuji, Hidefumi; Tanabe, Yoo
Chemistry - A European Journal, 2015 , vol. 21, # 15 p. 5934 - 5945 Title/Abstract Full Text View citing articles Show Details
Chemical shifts
1H
Reference
Sawaki; Inoue; Ogata
Bulletin of the Chemical Society of Japan, 1983 , vol. 56, # 4 p. 1133 - 1138 Title/Abstract Full Text View citing articles Show Details
Thuring, Jan Willem J. F.; Van Gaal, Angelique A. M. A.; Hornes, Sander J.; De Kok, Margreet M.; Nefkens, Gerard H. L.; Zwanenburg, Binne
Journal of the Chemical Society - Perkin Transactions 1, 1997 , # 5 p. 767 - 774 Title/Abstract Full Text View citing articles Show Details
CDCl3
IR Spectroscopy (1) Description (IR Spectroscopy)
Solvent (IR Spectroscopy)
Bands
neat liquid
Reference Ashida, Yuichiro; Sato, Yuka; Suzuki, Takeyuki; Ueno, Kanako; Kai, Ken-Ichiro; Nakatsuji, Hidefumi; Tanabe, Yoo
Chemistry - A European Journal, 2015 , vol. 21, # 15 p. 5934 - 5945 Title/Abstract Full Text View citing articles Show Details
Mass Spectrometry (1) Description (Mass Spectrometry) liquid chromatography mass spectrometry (LCMS) spectrum
Location
Reference
Page/Page column 194; 219
CARDIOXYL PHARMACEUTICALS, INC.; THE JOHNS HOPKINS UNIVERSITY; KALISH, Vincent, J.; BROOKFIELD, Frederick, A.; COURTNEY, Stephen, M.; FROST, Lisa, M.; TOSCANO, John, P.; GUTHRIE, Daryl, A.; NORTH, Carl, L.
Patent: WO2015/183839 A1, 2015 ; Title/Abstract Full Text Show Details