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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

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