Description

2,3(1H)-Isoquinolinedicarboxylic Acid, Octahydro-, 2-(1,1-Dimethylethyl) Ester, (3S,4As,8As)- is a high-purity, stereochemically defined advanced pharmaceutical intermediate. This compound is valued for its role as a critical building block in the synthesis of complex, biologically active molecules, particularly in medicinal chemistry. It is primarily sought after by research institutions and pharmaceutical companies engaged in the development of new therapeutic agents, where precise chemical structure and reliable supply are paramount.

Application

• Pharmaceutical Intermediate: A key chiral synthon in the research and development of novel drug candidates, especially for central nervous system (CNS) and other therapeutic areas.
• Medicinal Chemistry Research: Used in structure-activity relationship (SAR) studies and lead optimization processes to create new chemical entities.
• Process Chemistry Development: Serves as a starting material or intermediate in scaling up synthetic routes from laboratory to pilot plant and commercial production.
• Asymmetric Synthesis: Utilized in stereoselective synthesis due to its defined (3S,4As,8As) configuration to introduce specific chiral centers into target molecules.
• Contract Manufacturing (CMO): Supplied to contract research and manufacturing organizations (CROs/CMOs) for custom synthesis projects.
• Academic Research: Employed in university and institutional labs for methodological development and the study of heterocyclic chemistry.

Basic Information

Product Name	2,3(1H)-Isoquinolinedicarboxylic Acid, Octahydro-, 2-(1,1-Dimethylethyl) Ester, (3S,4As,8As)-
CAS No.	115238-59-0
Molecular Formula	C16H25NO4
Molecular Weight	295.38 g/mol
Synonyms	(3S,4aS,8aS)-2-(tert-Butyl) octahydro-2H-isoquinoline-2,3-dicarboxylate; 2-tert-Butyl octahydroisoquinoline-2,3-dicarboxylate; Octahydro-2-(1,1-dimethylethyl) 2,3(1H)-isoquinolinedicarboxylate; (3S,4aS,8aS)-2-(tert-Butyl) decahydroisoquinoline-2,3-dicarboxylic acid ester; tert-Butyl (3S,4aS,8aS)-decahydro-2,3-isoquinolinedicarboxylate; (3S,4aS,8aS)-2-(tert-Butoxycarbonyl)octahydro-3-isoquinolinecarboxylic acid
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management systems, ensuring batch-to-batch consistency and high chemical purity. Quality is verified through comprehensive analytical techniques including HPLC, GC, NMR, and chiral analysis. A Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment. We support compliance with cGMP standards for pharmaceutical applications, and specifications can be aligned with client-specific requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (typically 15-25°C). The compound may be hygroscopic (moisture-sensitive); keep the container tightly sealed under an inert atmosphere if specified.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to reference spectrum
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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