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N-tert-Butoxycarbonyl-4-chloro-2-trifluoroacetylaniline-[13C6]

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General Information
Catalog: BLP-006529
Molecular Formula: C7[13C]6H13ClF3NO3
Molecular Weight: 329.65

Chemical Structure

Description	N-tert-Butoxycarbonyl-4-chloro-2-trifluoroacetylaniline-[13C6] is the labelled analogue of N-tert-Butoxycarbonyl-4-chloro-2-trifluoroacetylaniline, which is an intermediate in the synthesis of Efavirenz, a nonnucleoside HIV-1 reverse transcriptase inhibitor.
Synonyms	[U-Ring-13C6]-N-tert-Butoxycarbonyl-4-chloro-2-trifluoroacetylaniline; tert-Butyl (4-Chloro-2-(2,2,2-trifluoroacetyl)phenyl)carbamate-13C6; [4-Chloro-2-(trifluoroacetyl)phenyl]-carbamic Acid 1,1-Dimethylethyl Ester-13C6; [4-Chloro-2-(2,2,2-trifluoro-acetyl)-phenyl]-carbamic acid tert-butyl ester-13C6
IUPAC Name	tert-butyl N-[4-chloro-2-(2,2,2-trifluoroacetyl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]carbamate
Related CAS	201218-07-7 (unlabelled)
Canonical SMILES	CC(C)(C)OC(=O)NC1=C(C=C(C=C1)Cl)C(=O)C(F)(F)F
InChI	InChI=1S/C13H13ClF3NO3/c1-12(2,3)21-11(20)18-9-5-4-7(14)6-8(9)10(19)13(15,16)17/h4-6H,1-3H3,(H,18,20)/i4+1,5+1,6+1,7+1,8+1,9+1
InChI Key	WYMLOCHHKMMBLA-VFESMUGCSA-N
Purity	98%