Description

(3S)-6,7-Dimethoxy-3-[(5R)-4-Methoxy-6-(Trideuteriomethyl)-7,8-Dihydro-5H-[1,3]Dioxolo[4,5-G]Isoquinolin-5-Yl]-3H-2-Benzofuran-1-One is a high-purity, deuterated isoquinoline derivative of significant interest in advanced pharmaceutical research and development. This compound serves as a critical building block or analytical reference standard for the synthesis and study of complex bioactive molecules. It is primarily required by pharmaceutical R&D laboratories, contract research organizations (CROs), and fine chemical manufacturers engaged in developing novel therapeutics, particularly in areas requiring isotopic labeling for metabolic or pharmacokinetic studies.

Application

• Pharmaceutical Intermediate: Key synthetic precursor in the development of deuterated drug candidates, leveraging the kinetic isotope effect for improved metabolic stability.
• Analytical Reference Standard: Used in method development and validation for quality control (QC) and bioanalytical assays (LC-MS, HPLC) to quantify active pharmaceutical ingredients (APIs) or metabolites.
• Medicinal Chemistry Research: A valuable tool for structure-activity relationship (SAR) studies and lead optimization in drug discovery programs targeting neurological or other disease pathways.
• Isotope Labeling Studies: Employed in pharmacokinetic (PK), pharmacodynamic (PD), and absorption, distribution, metabolism, and excretion (ADME) studies as a stable isotope-labeled internal standard.
• Process Chemistry: Serves as a high-value intermediate in the scale-up and optimization of synthetic routes for complex molecules under Good Manufacturing Practice (GMP) conditions.

Basic Information

Product Name	(3S)-6,7-Dimethoxy-3-[(5R)-4-Methoxy-6-(Trideuteriomethyl)-7,8-Dihydro-5H-[1,3]Dioxolo[4,5-G]Isoquinolin-5-Yl]-3H-2-Benzofuran-1-One
CAS No.	1217680-57-3
Molecular Formula	C24H22D3NO7
Molecular Weight	440.48 g/mol (for deuterated form)
Synonyms	6,7-Dimethoxy-3-[(5R)-4-methoxy-6-(trideuteriomethyl)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1-benzofuran-2(3H)-one; Deuterated Isoquinoline-Benzofuranone Derivative; (3S,5R)-Deuterated Intermediate; [D3]-Labeled Tetrahydroisoquinoline; 1-Benzofuran-1-one, 6,7-dimethoxy-3-[(5R)-4-methoxy-6-(trideuteriomethyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-; (3S,5R)-enantiomer
EINECS	Contact for details

Quality Control

Our (3S)-6,7-Dimethoxy-3-[(5R)-4-Methoxy-6-(Trideuteriomethyl)-7,8-Dihydro-5H-[1,3]Dioxolo[4,5-G]Isoquinolin-5-Yl]-3H-2-Benzofuran-1-One is produced under strict quality management systems. Each batch undergoes comprehensive analytical testing to ensure high chemical purity, enantiomeric excess, and isotopic enrichment. Certificates of Analysis (COA) detailing specifications such as assay (HPLC), chiral purity, deuterium incorporation, and impurity profiles are provided to guarantee reproducibility and reliability for your critical research and development applications.

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). For long-term storage, consider storing under inert atmosphere at lower temperatures (e.g., -20°C) to ensure optimal stability.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference
Purity (HPLC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 98.0% ee
Deuterium Incorporation (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.