Methyl N-[(2'-cyano-4-biphenylyl)methyl]-L-valinate hydrochloride (1:1) | CAS No. 482577-59-3

Methyl N-[(2'-cyano-4-biphenylyl)methyl]-L-valinate hydrochloride (1:1)

Basic Information

CAS Number

482577-59-3

Molecular Formula

C20H23ClN2O2

Molecular Weight

311.43 g/mol

AD

Basic Physical Properties

Melting Point

186 ºC

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

InChI

InChI=1S/C20H22N2O2.ClH/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;1H/t19-;/m0./s1

InChIKey

AZQXUWUZQLZNIM-FYZYNONXSA-N

LogP

3.949220000000002

Topological Polar Surface Area

38.33 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

446

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

  • SCHEMBL3526296
  • HY-W013764
  • (S)-Methyl 2-(((2'-cyano-[1,1'-biphenyl]-4-yl)-methyl)amino)-3-methylbutanoate hydrochloride
  • AZQXUWUZQLZNIM-FYZYNONXSA-N
  • N-[(2'-Cyano[1,1'-biphenyl]-4-yl)methyl]-L-valine methyl ester hydrochloride
  • (S)-Methyl 2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)-3-methylbutanoate HCl
  • N-[(2'-cyanobiphenyl-4-yl) methyl]-(L)-valine methyl ester hydrochloride
  • N-((2'-CYANO(1,1'-BIPHENYL)-4-YL)METHYL)-L-VALINE METHYL ESTER HYDROCHLORIDE (1:1)
  • C2475
  • TM6Z9X8JN4
  • L-Valine,N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-,methyl ester,hydrochloride(1:1)
  • F11554
  • METHYL (2S)-2-[({2'-CYANO-[1,1'-BIPHENYL]-4-YL}METHYL)AMINO]-3-METHYLBUTANOATE HYDROCHLORIDE
  • N-(2'-Cyanobiphenyl-4-ylMethyl)-L-valine Methyl Ester HCl
  • L-Valine, N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-, methyl ester, hydrochloride (1:1); : L-Valine, N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-, methyl ester, monohydrochloride (9CI); N-[(2'-Cyano[1,1'-biphenyl]-4-yl)methyl]-L-valine methyl ester hydrochloride (1:1)
  • AS-74409
  • AKOS015896156
  • N-[(2'-cyanobiphenyl-4-yl)methyl]-(L)-valine methyl ester hydrochloride
  • BCP12021
  • L-VALINE, N-((2'-CYANO(1,1'-BIPHENYL)-4-YL)METHYL)-, METHYL ESTER, MONOHYDROCHLORIDE
  • (S)-Methyl 2-(((2`-cyano-[1,1`-biphenyl]-4-yl)methyl)amino)-3-methylbutanoate hydrochloride
  • L-VALINE, N-[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]-, METHYL ESTER, MONOHYDROCHLORIDE
  • L-VALINE, N-((2'-CYANO(1,1'-BIPHENYL)-4-YL)METHYL)-, METHYL ESTER, HYDROCHLORIDE (1:1)
  • (S)-METHYL 2-(((2'-CYANO-(1,1'-BIPHENYL)-4-YL)METHYL)AMINO)-3-METHYLBUTANOATE HYDROCHLORIDE
  • (S)-Methyl 2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)-3-methylbutanoate hydrochloride
  • Methyl N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-L-valinate--hydrogen chloride (1/1)
  • CS-W014480
  • methyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methylbutanoate;hydrochloride
  • METHYL N-((2'-CYANO(1,1'-BIPHENYL)-4-YL)METHYL)-L-VALINATE HYDROCHLORIDE
  • MFCD08460094
  • 482577-59-3

MDL Number

MFCD08460094

FAQ

What regulatory guidelines apply to Methyl N-[(2'-cyano-4-biphenylyl)methyl]-L-valinate hydrochloride (CAS: 482577-59-3)?

Methyl N-[(2'-cyano-4-biphenylyl)methyl]-L-valinate hydrochloride (CAS: 482577-59-3) is subject to regulatory guidelines such as REACH in the European Union, which requires registration for substances above a threshold quantity. It also falls under the scope of GHS (Globally Harmonized System of Classification and Labeling of Chemicals) for hazardous chemicals, necessitating appropriate hazard communication including labels and safety data sheets. FDA regulations may apply for pharmaceutical uses, and EPA guidelines for environmental protection and waste management are also relevant.

Are there alternatives to Methyl N-[(2'-cyano-4-biphenylyl)methyl]-L-valinate hydrochloride (CAS: 482577-59-3) in synthesis?

In the synthesis of Methyl N-[(2'-cyano-4-biphenylyl)methyl]-L-valinate hydrochloride (CAS: 482577-59-3), alternative reagents such as other valinate derivatives or similar cyano-substituted biphenyl compounds can be explored. Isomers and analogs like Methyl N-[(3'-cyano-4-biphenylyl)methyl]-L-valinate hydrochloride can be considered depending on the specific reaction conditions and desired product properties. These alternatives can offer similar functionalities but with potentially different synthetic pathways and cost-efficiencies.

What is the market or research trend for Methyl N-[(2'-cyano-4-biphenylyl)methyl]-L-valinate hydrochloride (CAS: 482577-59-3)?

The market and research trends for Methyl N-[(2'-cyano-4-biphenylyl)methyl]-L-valinate hydrochloride (CAS: 482577-59-3) are currently focused on its applications in pharmaceuticals and functional materials. Emerging research is exploring its potential in drug delivery systems and as a precursor for synthesis of novel materials. Market trends indicate increasing demand due to its unique chemical properties, although price fluctuations may occur based on supply and demand dynamics.

How should waste containing Methyl N-[(2'-cyano-4-biphenylyl)methyl]-L-valinate hydrochloride (CAS: 482577-59-3) be handled?

Waste containing Methyl N-[(2'-cyano-4-biphenylyl)methyl]-L-valinate hydrochloride (CAS: 482577-59-3) should be collected and handled according to local and international environmental regulations. Incineration is a common disposal method, but it should be conducted in a manner that minimizes environmental impact. Professional waste disposal services are recommended to ensure compliance with REACH and other regulatory requirements. Precautions include proper labeling, packaging, and documentation to avoid environmental contamination during transportation and disposal.

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