(3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one

Modify Date: 2024-01-02 17:14:06

(3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one Structure
(3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one structure
Common Name (3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one
CAS Number 781650-41-7 Molecular Weight 322.274
Density 1.3±0.1 g/cm3 Boiling Point 367.6±42.0 °C at 760 mmHg
Molecular Formula C14H15F5N2O Melting Point N/A
MSDS N/A Flash Point 176.1±27.9 °C

 Names

Name (3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 367.6±42.0 °C at 760 mmHg
Molecular Formula C14H15F5N2O
Molecular Weight 322.274
Flash Point 176.1±27.9 °C
Exact Mass 322.110443
PSA 46.33000
LogP 2.34
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.474

 Synthetic Route

~79%

(3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one Structure

(3R,6S)-3-amino...

CAS#:781650-41-7

Literature: Palucki, Michael; Davies, Ian; Steinbuebel, Dietrich; Rosen, Jonathan Patent: US2009/124799 A1, 2009 ; Location in patent: Page/Page column 4; 13 ; US 20090124799 A1

~%

(3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one Structure

(3R,6S)-3-amino...

CAS#:781650-41-7

Literature: MERCK and CO., INC. Patent: WO2008/153849 A1, 2008 ; WO 2008/153849 A1

~%

(3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one Structure

(3R,6S)-3-amino...

CAS#:781650-41-7

Literature: MERCK and CO., INC. Patent: WO2008/153849 A1, 2008 ; WO 2008/153849 A1

~%

(3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one Structure

(3R,6S)-3-amino...

CAS#:781650-41-7

Literature: MERCK and CO., INC. Patent: WO2008/153849 A1, 2008 ; WO 2008/153849 A1

~%

(3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one Structure

(3R,6S)-3-amino...

CAS#:781650-41-7

Literature: MERCK and CO., INC. Patent: WO2008/153849 A1, 2008 ; WO 2008/153849 A1

~%

(3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one Structure

(3R,6S)-3-amino...

CAS#:781650-41-7

Literature: MERCK and CO., INC. Patent: WO2008/153849 A1, 2008 ; WO 2008/153849 A1

~%

(3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one Structure

(3R,6S)-3-amino...

CAS#:781650-41-7

Literature: MERCK and CO., INC. Patent: WO2008/153849 A1, 2008 ; WO 2008/153849 A1

~%

(3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one Structure

(3R,6S)-3-amino...

CAS#:781650-41-7

Literature: MERCK and CO., INC. Patent: WO2008/153849 A1, 2008 ; WO 2008/153849 A1

 Synonyms

(3R,6S)-3-Amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)-2-azepanone
(3R,6S)-3-Amino-6-(2,3-difluorphenyl)-1-(2,2,2-trifluorethyl)azepan-2-on
2H-Azepin-2-one, 3-amino-6-(2,3-difluorophenyl)hexahydro-1-(2,2,2-trifluoroethyl)-, (3R,6S)-
(3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one