2-Chloro-N-phenylacetamide- 13C6

CAS: 587-65-5

Ref. TR-C375376

Product Information

• Name: 2-Chloro-N-phenylacetamide- 13C6
• Synonyms: 2-chloro-N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetamide, 2-Chloro-N-phenylacetamide, Acetamide, 2-chloro-N-phenyl-, Acetanilide, 2-chloro-, Acetanilide, α-chloro-, Alpha-Chloroacetanilide, Chloracetanilide, Chloroacetanilide, N-(2-Chloroacetyl)aniline, N-(Chloroacetyl)aniline, N-Phenyl-2-chloroacetamide, N-Phenyl-2-chloroethanamide, N-Phenylchloroacetamide, N1-phenyl-2-chloroacetamide, NSC 311, Phenylcarbamoylmethyl chloride, α-Chloro-N-phenylacetamide, α-Chloroacetanilide, ω-Chloroacetanilide, 2-Chloroacetanilide

Description

Applications 2-Chloro-N-phenylacetamide- 13C6 is an intermediate in the synthesis of Diclofenac-13C6 (D436449). Diclofenac-13C6 is a labelled analogue of Diclofenac Acid (D436465), which is a nonsteroidal anti-inflammatory compound and decycloxygenase (COX) inhibitor. Diclofenac-13C6 is also an intermediate in synthesizing Diclofenac-13C6 Sodium Salt (D436453), which is a labelled analogue of Diclofenac Sodium Salt (D436450).
References Yagi, K., et. al.: Biol. Pharm. Bull., 37, 1234 (2014); Kenny, J. R., et al.: J. Med. Chem., 47, 2816 (2004); Sasaki, A., et al.: J. Pharmacol. Sci., 108, 266 (2008); Dalvie, D., et al.: Chem. Res. Toxicol., 22, 357 (2009); Kenny, J. R., et al.: J. Med. Chem., 47, 2816 (2004), Sasaki, A., et al.: J. Pharmacol. Sci., 108, 266 (2008); Dalvie, D., et al.: Chem. Res. Toxicol., 22, 357 (2009)

• Brand: TRC

Chemical properties

• Molecular weight: 175.564
• Formula: C₆C₂H₈ClNO
• Color/Form: Neat
• InChI: InChI=1S/C8H8ClNO/c9-6-8(11)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)/i1+1,2+1,3+1,4+1,5+1,7+1
• InChI key: InChIKey=VONWPEXRCLHKRJ-ZXJNGCBISA-N
• SMILES: O=C(CCl)N[13c]1[13cH][13cH][13cH][13cH][13cH]1