Methyl N-[(2'-cyano-4-biphenylyl)methyl]-L-valinate

Basic Information

View in Editor

CAS Number

137863-89-9

Molecular Formula

C20H22N2O2

Molecular Weight

311.43 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

View in Editor

CC(C)C(C(=O)OC)NCC1=CC=C(C=C1)C2=CC=CC=C2C#N

InChI

InChI=1S/C20H22N2O2/c1-14(2)19(20(23)24-3)22-13-15-8-10-16(11-9-15)18-7-5-4-6-17(18)12-21/h4-11,14,19,22H,13H2,1-3H3/t19-/m0/s1

InChIKey

ZQHINOUCNQKQEV-IBGZPJMESA-N

LogP

3.949220000000003

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

446

Synonyms & References

English

(S)-Methyl 2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)-3-methylbutanoate
A886380
137863-89-9
methyl ((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-L-valinate
AKOS015850911
N-[(2'-Cyano-(1,1'-biphenyl)-4-yl)methyl)]valine methyl ester
Valsartan impurity D
N-[(2'-cyanobiphenyl-4-yl)methyl]-(L)-valine methylester
L-Valine, N-((2'-cyano(1,1'-biphenyl)-4-yl)methyl)-, methyl ester
(S)-Methyl2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)-3-methylbutanoate
13EG6HX8ND
Methyl N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-L-valinate
SCHEMBL2174
methyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methylbutanoate
N-((2'-Cyano(1,1'-biphenyl)-4-yl)methyl)-L-valine methyl ester
Q27251511
N-[(2'-cyanobiphenyl-4-yl) methyl]-(L)-valine methyl ester
DTXSID50587775
N-[(2'-cyanobiphenyl-4-yl)methyl]-(L)-valine methyl ester
METHYL N-((2'-CYANO(1,1'-BIPHENYL)-4-YL)METHYL)-L-VALINATE
(S)-METHYL 2-((2'-CYANOBIPHENYL-4-YL)METHYLAMINO)-3-METHYLBUTANOATE
METHYL (2S)-2-[({2'-CYANO-[1,1'-BIPHENYL]-4-YL}METHYL)AMINO]-3-METHYLBUTANOATE
ZQHINOUCNQKQEV-IBGZPJMESA-N
N-[(2'-Cyano[1,1-biphenyl]-4-yl)methyl]-L-valine methylester
Valsartan impurity D [USP-MC]
UNII-13EG6HX8ND
N-[(2'-Cyano[1,1'-biphenyl]-4-yl)methyl]-L-valine methyl ester
L-Valine,N-[(2’-cyanol[1,1’-biphenyl]-4-yl)methyl],methyl easter
N-[(2’-CYANO-(1,1’-BIPHENYL)-4-YL) METHYL )] VALINE, METHYL ESTER, HCL
N-[(2-cyano (1, 1bp)-4-yl) methyl] valineMethylester

MDL Number

MFCD08436153

Customs Code

2926909090

FAQ

What are the physical and chemical properties of Methyl N-[(2'-cyano-4-biphenylyl)methyl]-L-valinate (CAS: 137863-89-9)?

Methyl N-[(2'-cyano-4-biphenylyl)methyl]-L-valinate (CAS: 137863-89-9) is a crystalline compound with a molecular weight of approximately 418.29 g/mol. It has a low solubility in water and a moderate solubility in organic solvents like methanol and ethanol. The compound exhibits significant reactivity towards nucleophiles and is often used in the synthesis of biologically active compounds due to its functional groups.

How is Methyl N-[(2'-cyano-4-biphenylyl)methyl]-L-valinate (CAS: 137863-89-9) typically synthesized?

Methyl N-[(2'-cyano-4-biphenylyl)methyl]-L-valinate (CAS: 137863-89-9) is typically synthesized via a multi-step process involving the coupling of 2'-cyano-4-biphenylmethanol with L-valine methyl ester in the presence of a coupling agent like HATU and a base such as DIPEA. The yield is usually around 70-80%, and the reaction is carried out under mild conditions to ensure high selectivity and purity.

What industries use Methyl N-[(2'-cyano-4-biphenylyl)methyl]-L-valinate (CAS: 137863-89-9)?

Methyl N-[(2'-cyano-4-biphenylyl)methyl]-L-valinate (CAS: 137863-89-9) is primarily used in the pharmaceutical and chemical industries due to its biological activity and potential as a precursor in medicinal chemistry. It may also find applications in the development of sensors and semiconductors due to its structural complexity and functional groups.

What precautions should be taken when handling Methyl N-[(2'-cyano-4-biphenylyl)methyl]-L-valinate (CAS: 137863-89-9)?

Proper handling of Methyl N-[(2'-cyano-4-biphenylyl)methyl]-L-valinate (CAS: 137863-89-9) requires the use of personal protective equipment (PPE) such as gloves, goggles, and lab coats. The compound should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of spills, they should be cleaned up immediately using appropriate absorbents and disposal methods as outlined in the Safety Data Sheet (SDS).