[13C6]-Aniline

Catalog Number	ACM100849374-3
CAS	100849-37-4
Structure
Description	Aniline is intended for Environment applications. All information about [13C6]-Aniline is provided in the MSDS. We deliver compounds with high purity levels and a comprehensive Certificate of Analysis.
Molecular Weight	99.08
Molecular Formula	C6H7N
Purity	≥98%
Isotopic Enrichment	99% 13C
Stability	≥1 year

Case Study

[13C6]-Aniline Used in the Synthesis of [13C6]-3,5-Dichloroaniline

Latli, Bachir, et al. Journal of the International Isotope Society, 2008, 51(7), 283-285.

[13C6]-Aniline or its hydrochloride can be converted to [13C6]-3,5-dichloroaniline in three steps, which can be added to the target compound and used as an internal standard in drug metabolism and pharmacokinetics (DMPK) studies.
Synthesis procedures
· [13C6]-2,4,6-Trichloroaniline
Aniline-13C6 was converted to its hydrochloride salt. This salt was then chlorinated with chlorine gas in the presence of carbon tetrachloride and ethanol. The resulting crude product was isolated and purified to yield [13C6]-2,4,6-trichloroaniline with 98% purity and yield.
· [13C6]-1,3,5-Trichlorobenzene
[13C6]-2,4,6-Trichloroaniline was diazotized with sodium nitrite in sulfuric acid. The diazonium salt was then reduced with hypophosphorous acid to afford [13C6]-1,3,5-trichlorobenzene. The crude product was purified by flash chromatography to yield the desired product in 88% yield.
· [13C6]-3,5-Dichloroaniline
[13C6]-1,3,5-Trichlorobenzene was subjected to a palladium-catalyzed reductive dehalogenation using LiHMDS as the reducing agent. The crude product was purified by flash chromatography to yield [13C6]-3,5-dichloroaniline in 87% yield.

Dual 12/13C6 Aniline Stable Isotope for Quantitative N-Glycomics

Albrecht, Simone, et al. Proteomics, 2017, 17(1-2), 1600304.

This work described an offline 2D LC-MS E workflow for the fractionation and relative quantification of dual isotope labeled N-linked oligosaccharides using neutral 12C6 and 13C6 aniline (Δmass = 6 Da). This dual 12C6/13C6 aniline 2D LC-MS platform is ideal for differential glycomic profiling of structurally complex N-glycan pools, as samples can be combined and analyzed in a single LC-MS injection and associated technical variability is minimized.
N-glycan fluorescent labelling with 12C6- and 13C6-aniline
Glycans were labeled by treating them with 10 μL of a solution containing 0.54 M aniline (either 12C6- or 13C6-aniline) and 0.95 M NaBH3CN in a DMSO/acetic acid mixture (7:3 v/v) at 37°C for 16 hours. After incubation, aliquots labeled with 12C6- and 13C6-aniline were combined, and 80 μL of water along with 900 μL of acetonitrile were added. To remove any excess fluorescent label, the sample mixtures were processed using hydrophilic interaction PhyTips (1 mL), which were preconditioned and repeatedly washed with 95% v/v acetonitrile after sample aspiration. N-glycans were eluted using four 200 μL water aliquots; the combined eluate was then concentrated in a vacuum centrifuge.

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[13C6]-Aniline (100849-37-4)

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