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L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]-

CAS 74971-63-4Formula C12H13ClF3NO2MW 295.68PubChem 156536

This compound is an N-substituted L-valine derivative featuring a 2-chloro-4-(trifluoromethyl)phenyl group. It is classified as a research-oriented/research-oriented molecule, making it of interest in medicinal chemistry and drug discovery research.

Loading RDKit molecule structure...
InChIKey: YKSHSSFDOHACTC-JTQLQIEISA-NC12H13ClF3NO2 | MW 295.68

Chemical Identity

Molecular Formula

C12H13ClF3NO2

Molecular Weight

295.68 g/mol

Exact Mass

295.058691

PubChem CID

156536

IUPAC Name

(2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid

SMILES String

CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)O

Names & Synonyms

L-Valine, N-(2-chloro-4-(trifluoromethyl)phenyl)-(2S)-2-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-3-methylbutanoic acidN-[2-Chloro-4-(trifluoromethyl)phenyl]-L-valineN-(2-chloro-4-trifluoromethylphenyl)valineN-(2-chloro-4-trifluoromethylphenyl) valine
Show all synonyms
(S)-2-(2-chloro-4-trifluoromethylphenylamino)-3-methylbutanoic acid(2S)-2-{[2-chloro-4-(trifluoromethyl)phenyl]amino}-3-methylbutanoicacid
External Identifiers
RefChem:798188DTXSID9074931SCHEMBL10793219EN300-87483

Catalog Overview

L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]- (CAS 74971-63-4) is an organic compound with the molecular formula C12H13ClF3NO2 and a molecular weight of 295. 68 g/mol. Its IUPAC name is (2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid. This chiral molecule incorporates an L-valine amino acid backbone N-substituted with a 2-chloro-4-(trifluoromethyl)phenyl moiety.

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Read more catalog context

L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]- (CAS 74971-63-4) is an organic compound with the molecular formula C12H13ClF3NO2 and a molecular weight of 295.68 g/mol. Its IUPAC name is (2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid. This chiral molecule incorporates an L-valine amino acid backbone N-substituted with a 2-chloro-4-(trifluoromethyl)phenyl moiety. The presence of a trifluoromethyl group and a chlorine atom on the phenyl ring, combined with the amino acid structure, contributes to its potential as a building block or lead compound in pharmaceutical and agrochemical research. It belongs to the research-oriented chemical scaffold, suggesting its relevance in exploring structure-activity relationships and developing novel chemical entities.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

160.0 °C

Boiling Point

385.0 °C

Density

1.33 g/cm³

Water Solubility

Slightly soluble

Flash Point

160.2 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle L-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]- with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Always refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures before handling. Store in a cool, dry place, away from incompatible materials.

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