Description

(2S,5'R)-7-Chloro-3',6-Dimethoxy-5'-Methyl-4-(Trideuteriomethoxy)Spiro[1-Benzofuran-2,4'-Cyclohex-2-Ene]-1',3-Dione is a sophisticated, high-purity deuterated spirocyclic compound designed for advanced research and development. This chemical is critical for applications requiring precise molecular labeling, such as in the development of novel pharmaceuticals and agrochemicals, where its deuterium atoms provide unique metabolic stability and tracing capabilities. It is primarily sought by scientists and process chemists in pharmaceutical R&D, agrochemical discovery, and academic institutions focused on synthetic methodology and isotope effect studies.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of deuterated drug candidates, leveraging the kinetic isotope effect for improved metabolic stability and pharmacokinetic profiles.
• Metabolic Tracing Studies: Used as a stable isotope-labeled internal standard in LC-MS and GC-MS analysis for accurate quantification and metabolic pathway elucidation.
• Agrochemical Research: Employed in the development of novel, labeled pesticides and herbicides to study environmental fate, degradation, and mode of action.
• Academic & Synthetic Chemistry: A valuable reagent for methodology development in asymmetric synthesis and the study of spirocyclic and deuterium incorporation reactions.
• Process Chemistry & Scale-up: Supports route scouting and optimization for the commercial production of deuterated active pharmaceutical ingredients (APIs).

Basic Information

Product Name	(2S,5'R)-7-Chloro-3',6-Dimethoxy-5'-Methyl-4-(Trideuteriomethoxy)Spiro[1-Benzofuran-2,4'-Cyclohex-2-Ene]-1',3-Dione
CAS No.	1329612-29-4
Molecular Formula	C18H18D3ClO6
Molecular Weight	383.84 g/mol (for C18H18D3ClO6)
Synonyms	7-Chloro-3',6-dimethoxy-5'-methyl-4-(trideuteriomethoxy)spiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione; (2S,5'R)-7-Chloro-3',6-dimethoxy-5'-methyl-4-(OCD3)spiro[benzofuran-2,4'-cyclohex-2-ene]-1',3-dione; Deuterated Spirocyclic Benzofuranone; CAS 1329612-29-4; 4-(Trideuteriomethoxy)-7-chloro-3',6-dimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
EINECS	Contact for details

Quality Control

Our production of this deuterated compound adheres to strict quality protocols to ensure batch-to-batch consistency and high isotopic purity. Every lot is supported by a comprehensive Certificate of Analysis (COA) detailing parameters such as chemical purity (by HPLC), isotopic enrichment (by NMR/MS), and chiral purity. We operate under a cGMP-compliant quality management system, and specifications can be tailored to meet the rigorous standards of pharmaceutical development (ICH Q3A/B, USP).

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). The product is light-sensitive (store away from light). For long-term storage under inert atmosphere, please contact our technical team for specific recommendations.

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 (D-content, NMR/MS)	≥ 98 atom % D
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Residual Solvents (GC)	Complies with ICH Q3C
Heavy Metals	< 10 ppm

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