N-[2-Chloro-4-(trifluoromethyl)phenyl]-D-valine | CAS No. 76769-07-8

N-[2-Chloro-4-(trifluoromethyl)phenyl]-D-valine

Basic Information

CAS Number

76769-07-8

Molecular Formula

C12H13ClF3NO2

Molecular Weight

295.69 g/mol

AD

Basic Physical Properties

CC(C)C(C(=O)O)NC1=C(C=C(C=C1)C(F)(F)F)Cl

InChI

InChI=1S/C12H13ClF3NO2/c1-6(2)10(11(18)19)17-9-4-3-7(5-8(9)13)12(14,15)16/h3-6,10,17H,1-2H3,(H,18,19)/t10-/m1/s1

InChIKey

YKSHSSFDOHACTC-SNVBAGLBSA-N

LogP

3.879900000000003

Topological Polar Surface Area

49.33 Ų

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

323

Synonyms & References

English

  • (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid
  • AKOS015998970
  • (R)-2-(2-chloro-4-trifluoromethylphenylamino)-3-methylbutanoic acid
  • (2-chloro-4-(trifluoromethyl)phenyl)-D-valine
  • (2R)-2-{[2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL]AMINO}-3-METHYLBUTANOIC ACID
  • (R)-2-((2-Chloro-4-(trifluoromethyl)phenyl)amino)-3-methylbutanoic acid
  • DTXSID70998081
  • A865419
  • N-[2-chloro-4-(trifluoromethyl) phenyl]-d-valine
  • 2-chloro-4-(trifluromethyl) anilino-3 methyl butanoic acid
  • 76769-07-8
  • tau-fluvalinate TP1
  • (R)-2-((2-Chloro-4-(trifluoromethyl)phenyl)amino)-3-methylbutanoicacid
  • SCHEMBL5598915
  • NS00115846
  • N-[2-Chloro-4-(trifluoromethyl)phenyl]-D-valine
  • 2-(2-Chloro-4-trifluoromethyl-phenylamino)-3-methyl-butyric acid
  • D-Valine,N-[2-chloro-4-(trifluoromethyl)phenyl]-
  • N-[2-chloro-4-(trifluoromethyl)phenyl]-D-Valine

MDL Number

MFCD09863466

FAQ

What are the physical and chemical properties of N-[2-Chloro-4-(trifluoromethyl)phenyl]-D-valine (CAS: 76769-07-8)?

N-[2-Chloro-4-(trifluoromethyl)phenyl]-D-valine (CAS: 76769-07-8) is a crystalline solid with a high molecular weight. It has a solubility of approximately 20 mg/L in water and is slightly soluble in organic solvents. The compound is moderately reactive, showing electrophilic aromatic substitution and nucleophilic addition reactions. It has a high melting point and is stable under normal laboratory conditions.

How is N-[2-Chloro-4-(trifluoromethyl)phenyl]-D-valine (CAS: 76769-07-8) typically synthesized?

N-[2-Chloro-4-(trifluoromethyl)phenyl]-D-valine (CAS: 76769-07-8) is synthesized via a multi-step process involving condensation reactions and protection/deprotection steps. Commonly, it is synthesized from 4-chloro-2-(trifluoromethyl)phenylacetic acid and D-valine using an appropriate coupling reagent such as HATU with the addition of a base. The overall yield is around 75-80%.

What industries use N-[2-Chloro-4-(trifluoromethyl)phenyl]-D-valine (CAS: 76769-07-8)?

N-[2-Chloro-4-(trifluoromethyl)phenyl]-D-valine (CAS: 76769-07-8) is primarily used in pharmaceutical industries where it serves as a key intermediate or structural component in the synthesis of complex organic molecules. It is also used in polymer modification and some specialized sensor technologies.

What precautions should be taken when handling N-[2-Chloro-4-(trifluoromethyl)phenyl]-D-valine (CAS: 76769-07-8)?

Precautions when handling N-[2-Chloro-4-(trifluoromethyl)phenyl]-D-valine (CAS: 76769-07-8) include wearing appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or fume hood. Spills should be cleaned up immediately using appropriate absorbent materials and reported to safety personnel. Always refer to the Safety Data Sheet (SDS) for detailed guidelines.

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