Description

Benzo[D]Isoxazol-3-Yl-Methanesulfonyl-D4 Chloride is a high-purity, deuterated chemical building block of significant interest in advanced research and development. This compound serves as a critical intermediate in the synthesis of isotopically labeled molecules, enabling precise pharmacokinetic and metabolic studies. It is primarily utilized by pharmaceutical R&D teams, contract research organizations (CROs), and academic institutions focused on developing and analyzing novel therapeutic agents.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of deuterated drug candidates for improved metabolic stability and extended half-life.
• Metabolic Research: Used as a stable isotope-labeled internal standard in Liquid Chromatography-Mass Spectrometry (LC-MS) for accurate quantification and metabolite identification.
• Mechanistic Studies: Enables tracing of reaction pathways and metabolic fate in pre-clinical and clinical research due to its deuterium labels.
• Active Pharmaceutical Ingredient (API) Development: Incorporated into the synthesis of novel compounds targeting neurological and psychiatric disorders, given the benzoisoxazole core structure.
• Isotope Chemistry: Serves as a specialized reagent for introducing deuterium atoms at specific molecular sites in complex organic syntheses.

Basic Information

Product Name	Benzo[D]Isoxazol-3-Yl-Methanesulfonyl-D4 Chloride
CAS No.	1189428-60-1
Molecular Formula	C8H3D4ClNO3S
Molecular Weight	247.69 g/mol
Synonyms	3-(Chlorosulfonyl)-1,2-benzisoxazole-d4; 1,2-Benzisoxazole-3-methanesulfonyl-d4 chloride; Benzo[d]isoxazol-3-ylmethanesulfonyl-d4 chloride; Deuterated Benzoisoxazole Sulfonyl Chloride; Isotope Labeled Building Block 1189428-60-1; (1,2-Benzisoxazol-3-yl)-d4-methanesulfonyl chloride; 3-(Methanesulfonyl-d4 chloride)-1,2-benzisoxazole
EINECS	Contact for details

Quality Control

Our Benzo[D]Isoxazol-3-Yl-Methanesulfonyl-D4 Chloride is manufactured under strict quality systems to ensure batch-to-batch consistency and high isotopic purity. Each lot undergoes comprehensive analytical testing, including NMR (¹H, ¹³C), HPLC, and mass spectrometry, to confirm chemical identity, isotopic enrichment (D4), and purity. Certificates of Analysis (COA) detailing all specifications are provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent moisture absorption and degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (D4, MS)	≥ 98 atom % D
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.