benzyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]-3-methylbutanoate

Modify Date: 2024-02-01 15:05:28

benzyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]-3-methylbutanoate Structure
benzyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]-3-methylbutanoate structure
Common Name benzyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]-3-methylbutanoate
CAS Number 137864-22-3 Molecular Weight 482.61300
Density 1.147 g/cm3 Boiling Point 657.065ºC at 760 mmHg
Molecular Formula C31H34N2O3 Melting Point N/A
MSDS N/A Flash Point 351.181ºC

 Names

Name benzyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]-3-methylbutanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.147 g/cm3
Boiling Point 657.065ºC at 760 mmHg
Molecular Formula C31H34N2O3
Molecular Weight 482.61300
Flash Point 351.181ºC
Exact Mass 482.25700
PSA 70.40000
LogP 6.51208

 Synthetic Route

~10%

benzyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]-3-methylbutanoate Structure

benzyl (2S)-2-[...

CAS#:137864-22-3

Literature: US2006/281801 A1, ; Page/Page column 5-6 ;

~72%

benzyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]-3-methylbutanoate Structure

benzyl (2S)-2-[...

CAS#:137864-22-3

Literature: Kumar, Ashok; Nimbalkar, Manmohan Madhavrao; Barve, Sanjay Govind; Metil, Dattatray Shamrao; Kelkar, Rahul Suresh; Shimpukade, Bharat Dinkar; Kushwaha, Lavkesh Dayashankar Patent: US2006/281801 A1, 2006 ; Location in patent: Page/Page column 7 ;

~%

benzyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]-3-methylbutanoate Structure

benzyl (2S)-2-[...

CAS#:137864-22-3

Literature: Beutler, Ulrich; Boehm, Matthias; Fuenfschilling, Peter C.; Heinz, Thomas; Mutz, Jean-Paul; Onken, Ulrich; Mueller, Martin; Zaugg, Werner Organic Process Research and Development, 2007 , vol. 11, # 5 p. 892 - 898

 Synonyms

(S)-Benzyl 2-(N-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoate
(S)-N-[(2'-cyanobiphenyl-4-yl)methyl]-N-valeroyl-(L)-valine benzyl ester
N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-n-valeryl-L-valine benzyl ester
(S)-2-[(2'-cyano-biphenyl-4-ylmethyl)-pentanoyl-amino]-3-methyl-butyric acid benzyl ester
N-[(2'-cyanobiphenyl-4-yl)methyl]-N-valeryl-(L)-valine benzyl ester
N-[(2'-cyanobiphenyl-4-yl)methyl]-N-pentanoyl-(L)-valine benzyl ester