Description

6-[2-(3,4-Dihydro-4,4-(Dimethyl-D6)-2H-1-Benzothiopyran-6-Yl-D2)Ethynyl]- is a high-purity, deuterated and isotopically labeled organic compound, identified by CAS number 1246815-76-8. This compound is of significant value in advanced research and development, particularly for its utility as a stable isotope-labeled intermediate or reference standard. It is primarily needed by pharmaceutical, agrochemical, and academic research institutions engaged in metabolic studies, pharmacokinetics, and the development of novel active ingredients.

Application

• Pharmaceutical Research: Critical intermediate in the synthesis of deuterated drug candidates for improved metabolic stability and pharmacokinetic profiling.
• Metabolic Studies: Used as an internal standard in Liquid Chromatography-Mass Spectrometry (LC-MS) and Gas Chromatography-Mass Spectrometry (GC-MS) for accurate quantification in biological matrices.
• Agrochemical Development: Serves as a labeled precursor in the creation of novel, isotopically tagged pesticides or herbicides for environmental fate and residue analysis.
• Material Science: Potential building block for advanced organic electronic materials due to its conjugated ethynyl-benzothiopyran structure.
• Chemical Synthesis: Key synthon for introducing deuterium labels into complex molecular architectures for mechanistic and tracer studies.

Basic Information

Product Name	6-[2-(3,4-Dihydro-4,4-(Dimethyl-D6)-2H-1-Benzothiopyran-6-Yl-D2)Ethynyl]-
CAS No.	1246815-76-8
Molecular Formula	C15H8D8OS
Molecular Weight	244.40 g/mol
Synonyms	6-[(3,4-Dihydro-4,4-bis(methyl-d3)-2H-1-benzothiopyran-6-yl-d2)ethynyl]-; Deuterated Benzothiopyran Ethynyl Derivative; 1246815-76-8; 6-[2-(4,4-Dimethyl-d6-3,4-dihydro-2H-1-benzothiopyran-6-yl-d2)ethynyl]-; Isotope Labeled Benzothiopyran; D8-Labeled Benzothiopyran Alkyne; CAS 1246815-76-8
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards for isotopic purity and chemical identity. Each batch is characterized using advanced analytical techniques including NMR (¹H, ¹³C, ²H), High-Performance Liquid Chromatography (HPLC), and Mass Spectrometry (MS). Certificates of Analysis (COA) detailing isotopic enrichment, chemical purity, and identity are available upon request.

Storage

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

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 (²H NMR/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.