Description

(Cis/Trans)-2-(4-Benzofurazanylmethylene)-3-Oxo-Butanoic Acid (Methyl-D3) Ester is a high-purity, isotopically labeled chemical intermediate designed for advanced research and development. This compound is critical for applications requiring precise molecular tracking and analysis, such as in the synthesis of deuterated active pharmaceutical ingredients (APIs) and metabolites. It is primarily utilized by pharmaceutical R&D teams, analytical laboratories, and specialty chemical manufacturers focused on drug discovery and metabolic studies.

Application

• Deuterated Pharmaceutical Intermediate: A key building block in the synthesis of deuterium-labeled drug candidates for improved pharmacokinetic and metabolic stability studies.
• Internal Standard for Mass Spectrometry: Used as a quantitative internal standard in LC-MS and GC-MS analysis for accurate bioanalytical method development and validation.
• Metabolite Synthesis & Identification: Facilitates the preparation of labeled metabolites to aid in the identification and quantification of drug metabolites in biological matrices.
• Mechanistic Studies in Organic Chemistry: Employed in reaction mechanism elucidation and kinetic isotope effect (KIE) studies due to its specific deuterium labeling.
• Precursor for Specialty Materials: Serves as a precursor in the development of novel, labeled materials for specialized applications in agrochemical and material science research.

Basic Information

Product Name	(Cis/Trans)-2-(4-Benzofurazanylmethylene)-3-Oxo-Butanoic Acid (Methyl-D3) Ester
CAS No.	1185237-60-8
Molecular Formula	C₁₃H₉D₃N₂O₄
Molecular Weight	263.25 g/mol
Synonyms	2-[(4-Benzofurazanyl)methylene]-3-oxobutanoic acid methyl-d3 ester; Methyl-d3 2-(4-benzofurazanylmethylene)-3-oxobutanoate; 3-Oxo-2-[(4-benzofurazanyl)methylene]butanoic Acid Methyl-d3 Ester; (Cis/Trans)-2-(4-Benzofurazanylmethylene)-3-Oxo-Butanoic Acid (Methyl-D3) Ester; Deuterated Benzofurazan Butanoate Ester; [Methyl-d3] 2-(4-Benzofurazanylmethylene)-3-oxobutanoate; 1185237-60-8; Butanoic acid, 2-[(4-benzofurazanyl)methylene]-3-oxo-, methyl-d3 ester
EINECS	Contact for details

Quality Control

Every batch of (Cis/Trans)-2-(4-Benzofurazanylmethylene)-3-Oxo-Butanoic Acid (Methyl-D3) Ester is manufactured under strict quality control protocols to ensure high chemical purity and isotopic enrichment. Our products undergo rigorous analytical testing, including NMR, HPLC, and MS, to confirm identity, purity, and deuterium incorporation. Certificates of Analysis (COA) detailing all specifications are available upon request, supporting compliance with research and development standards.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a cool, dry, and well-ventilated area. Keep the container sealed to protect the isotopically labeled compound from moisture and contamination.

Specification

Item	Specification
Appearance	Off-white to light yellow solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0% (Area %)
Isomeric Ratio (Cis/Trans)	Reported on COA
Deuterium Incorporation (MS)	≥ 98 atom % D
Residual Solvents (GC)	Meets ICH guidelines

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