CAS 109376-35-4

(carbethoxymethyl-1,2-13C2)triphenyl-phosphonium

Description:

Carbethoxymethyl-1,2-^13C2)triphenyl-phosphonium, with the CAS number 109376-35-4, is a specialized organophosphorus compound characterized by the presence of a triphenylphosphonium cation and a carbethoxymethyl group. The incorporation of ^13C isotopes in the structure allows for applications in isotopic labeling and tracing studies in various chemical and biological contexts. This compound typically exhibits high stability due to the resonance stabilization provided by the three phenyl groups attached to the phosphorus atom. It is soluble in organic solvents, making it suitable for use in organic synthesis and as a reagent in various chemical reactions. The presence of the carbethoxymethyl group enhances its reactivity, allowing it to participate in nucleophilic substitution reactions. Additionally, the compound's unique isotopic labeling can facilitate studies in metabolic pathways and reaction mechanisms. Overall, its distinct structural features and reactivity profile make it a valuable tool in both synthetic chemistry and analytical applications.

Formula: C₂₀₁₃C₂H₂₃BrO₂P

InChI: InChI=1/C22H22O2P.BrH/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/i18+1,22+1;

Synonyms:

• (Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide
• phosphonium, (2-ethoxy-2-oxoethyl-1,2-13C2)triphenyl-, hydrobromide

(Ethoxycarbonylmethyl)triphenylphosphonium-13C2 Bromide

Controlled Product

CAS: 109376-35-4

Applications (Ethoxycarbonylmethyl)triphenylphosphonium-13C2 bromide is an intermediate in the synthesis of 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone-13C5, which is an isotope labelled Mutagen X (MX) is a chlorinated furanone that accounts for more of the mutagenic activity of drinking water than any other disinfection byproduct. DNA damages provoked by the six mutagens (furylframide, MX, 4-nitroquinoline N-oxide, sodium azide, 1-nitropyrene, and captan) used in the present study have been known to subject to the nucleotide excision repair system.
References Hakulinen, P., et al.: Toxicol. Lett., 151, 439 (2004), Richardson, S., et al.: Mutat. Res., 636, 178 (2007), Kim, J., et al.: Environ. Toxicol., 23, 319 (2008),

Formula: C₂₀₁₃C₂H₂₂BrO₂P

Color and Shape: Neat

Molecular weight: 431.27

Ref: TR-E891452