Description

4-[4-(Methanesulfonyloxy)-1-Butynyl]-α,α-Di(Methyl-D3)Benzeneacetic Acid, Methyl Ester is a high-purity, deuterated synthetic intermediate of significant importance in advanced pharmaceutical research and development. This compound is specifically designed for use in drug discovery programs, particularly those focused on metabolic studies and the development of novel therapeutic agents. It is an essential building block for medicinal chemists and researchers in the pharmaceutical and biotechnology industries who require isotopically labeled compounds for pharmacokinetic, pharmacodynamic, and bioanalytical applications.

Application

• Pharmaceutical Intermediate: A critical precursor in the synthesis of deuterated active pharmaceutical ingredients (APIs) for improved metabolic stability and pharmacokinetic profiles.
• Metabolic Tracer: Used in drug metabolism and pharmacokinetics (DMPK) studies to track and quantify metabolic pathways using mass spectrometry.
• Isotope Labeling: Serves as a source of deuterium (D) atoms for the preparation of isotopically labeled compounds for internal standards in bioanalytical assays.
• Medicinal Chemistry Research: Employed in structure-activity relationship (SAR) studies to investigate the effect of deuteration on biological activity.
• Reference Standard: Can be utilized as a high-purity certified reference material (CRM) for analytical method development and validation.

Basic Information

Product Name	4-[4-(Methanesulfonyloxy)-1-Butynyl]-α,α-Di(Methyl-D3)Benzeneacetic Acid, Methyl Ester
CAS No.	1020719-58-7
Molecular Formula	C17H19D6O5S
Molecular Weight	353.48 g/mol
Synonyms	Methyl 4-[4-(Methanesulfonyloxy)-1-butyn-1-yl]-α,α-bis(trideuteriomethyl)benzeneacetate; Methyl 2-(4-((4-(Methylsulfonyloxy)but-1-yn-1-yl))phenyl)-2,2-bis(trideuteriomethyl)acetate; 4-[4-(Methanesulfonyloxy)-1-Butynyl]-α,α-Bis(trideuteriomethyl)benzeneacetic Acid Methyl Ester; Deuterated Methanesulfonate Ester Intermediate; (4-((4-(Methylsulfonyloxy)but-1-yn-1-yl))phenyl)bis(trideuteriomethyl)acetic Acid Methyl Ester; CAS 1020719-58-7
EINECS	Contact for details

Quality Control

This product is manufactured under strict quality control protocols to ensure it meets the exacting standards required for pharmaceutical R&D. Every batch is characterized using advanced analytical techniques including NMR, HPLC, and mass spectrometry to confirm identity, isotopic purity, and chemical purity. Certificates of Analysis (COA) detailing batch-specific results are provided and can be tailored to meet specific client or regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (typically 15-25°C). The compound is light-sensitive and should be handled under appropriate conditions to maintain stability.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (Deuterium Content)	≥ 98 atom % D
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH guidelines

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