Description

(Carbethoxymethyl-1,2-13C2)Triphenylphosphonium Bromide is a high-purity, isotopically labeled Wittig reagent. This compound is essential for advanced organic synthesis and analytical chemistry, particularly in the preparation of 13C-labeled olefins for use as internal standards or tracers. It is primarily used by researchers and manufacturers in the pharmaceutical, agrochemical, and academic sectors for mechanistic studies, metabolic pathway analysis, and the development of labeled active pharmaceutical ingredients (APIs).

Application

• Synthesis of 13C-Labeled Olefins: As a key Wittig reagent for the stereoselective preparation of alkenes with isotopic labels at specific positions.
• Pharmaceutical Research & Development: Used to synthesize isotopically labeled drug candidates and metabolites for pharmacokinetic, pharmacodynamic, and mass spectrometry-based bioanalytical studies.
• Metabolic Pathway Tracing: Enables the study of biochemical pathways in living systems through the incorporation of stable isotopes, crucial for drug discovery and systems biology.
• Internal Standard Production: Manufacture of high-purity, chemically identical internal standards for quantitative analysis by GC-MS or LC-MS, ensuring accurate measurement in complex matrices.
• Agrochemical Development: Synthesis of labeled versions of pesticides or herbicides to study environmental fate, degradation, and residue analysis.
• Academic & Institutional Research: A critical tool in synthetic organic chemistry laboratories for methodological development and advanced coursework.
• NMR Spectroscopy: The 13C labels provide enhanced sensitivity and clarity in nuclear magnetic resonance (NMR) spectroscopic analysis of reaction mechanisms and molecular structures.

Basic Information

Product Name	(Carbethoxymethyl-1,2-13C2)Triphenylphosphonium Bromide
CAS No.	109376-35-4
Molecular Formula	C23H22BrO2P (with 13C at positions 1 & 2 of the carbethoxymethyl group)
Molecular Weight	~441.30 g/mol (for unlabeled form; contact for exact labeled MW)
Synonyms	(2-Ethoxy-2-oxoethyl-1,2-13C2)triphenylphosphonium bromide; (Ethoxycarbonylmethyl-1,2-13C2)triphenylphosphonium bromide; 13C2-Labeled (Carbethoxymethyl)triphenylphosphonium bromide; (1,2-13C2)-Carbethoxymethyltriphenylphosphonium bromide; 13C2-Ph3P+CH2CO2Et Br-; Stable Isotope Labeled Wittig Reagent; Phosphonium, (2-ethoxy-1,2-13C2-2-oxoethyl)triphenyl-, bromide
EINECS	Contact for details

Quality Control

Every batch of our (Carbethoxymethyl-1,2-13C2)Triphenylphosphonium Bromide is produced and tested under strict quality management protocols to ensure the highest isotopic and chemical purity for research and development. We provide comprehensive Certificates of Analysis (COA) detailing isotopic enrichment (typically >99 atom % 13C), chemical purity (by NMR and HPLC), and identity confirmation. Our quality systems support compliance with the rigorous standards required for pharmaceutical and analytical applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) when appropriate to maintain stability and purity. Keep the container tightly sealed in a desiccator for long-term storage.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure (13C NMR confirms labeling)
Isotopic Enrichment (13C)	≥ 99 atom %
Chemical Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.