(4R,5S)-5-(3,5-bis(trifluoroMethyl)phenyl)-4-Methyloxazolidin-2-one

Modify Date: 2024-01-03 19:15:19

(4R,5S)-5-(3,5-bis(trifluoroMethyl)phenyl)-4-Methyloxazolidin-2-one Structure
(4R,5S)-5-(3,5-bis(trifluoroMethyl)phenyl)-4-Methyloxazolidin-2-one structure
Common Name (4R,5S)-5-(3,5-bis(trifluoroMethyl)phenyl)-4-Methyloxazolidin-2-one
CAS Number 875444-08-9 Molecular Weight 313.196
Density 1.4±0.1 g/cm3 Boiling Point 329.5±42.0 °C at 760 mmHg
Molecular Formula C12H9F6NO2 Melting Point N/A
MSDS N/A Flash Point 153.1±27.9 °C

 Names

Name (4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 329.5±42.0 °C at 760 mmHg
Molecular Formula C12H9F6NO2
Molecular Weight 313.196
Flash Point 153.1±27.9 °C
Exact Mass 313.053741
PSA 38.33000
LogP 3.31
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.433

 Synthetic Route

~98%

(4R,5S)-5-(3,5-bis(trifluoroMethyl)phenyl)-4-Methyloxazolidin-2-one Structure

(4R,5S)-5-(3,5-...

CAS#:875444-08-9

Literature: MERCK and CO., INC. Patent: WO2007/81569 A2, 2007 ; Location in patent: Page/Page column 34-35 ;

~%

(4R,5S)-5-(3,5-bis(trifluoroMethyl)phenyl)-4-Methyloxazolidin-2-one Structure

(4R,5S)-5-(3,5-...

CAS#:875444-08-9

Literature: MERCK and CO., INC. Patent: WO2006/14357 A1, 2006 ; Location in patent: Page/Page column 51-52 ;

~%

(4R,5S)-5-(3,5-bis(trifluoroMethyl)phenyl)-4-Methyloxazolidin-2-one Structure

(4R,5S)-5-(3,5-...

CAS#:875444-08-9

Literature: AMIRA PHARMACEUTICALS, INC. Patent: WO2009/108720 A2, 2009 ; Location in patent: Page/Page column 132 ; WO 2009/108720 A2
Detail
Literature: MERCK and CO., INC. Patent: WO2007/81571 A2, 2007 ; Location in patent: Page/Page column 41 ;

~%

(4R,5S)-5-(3,5-bis(trifluoroMethyl)phenyl)-4-Methyloxazolidin-2-one Structure

(4R,5S)-5-(3,5-...

CAS#:875444-08-9

Literature: Ogawa, Takanori; Kumagai, Naoya; Shibasaki, Masakatsu Angewandte Chemie - International Edition, 2013 , vol. 52, # 24 p. 6196 - 6201 Angew. Chem., 2013 , vol. 125, # 24 p. 6316 - 6321

 Synonyms

(4S,5R)-5-(3,5-bis(trifluoromethyl)phenyl)-4-methyl-1,3-oxazolidin-2-one
2-Oxazolidinone, 5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-, (4S,5R)-
2-Oxazolidinone,5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-,(4S,5R)
(4S,5R)-5-(3,5-bis-trifluoromethyl-phenyl)-4-methyl-oxazolidin-2-one
(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
(4R,5S)-5-(3,5-bis(trifluoroMethyl)phenyl)-4-Methyloxazolidin-2-one
Anacetrapib Intermediate 2