Description

2,3(1H)-Isoquinolinedicarboxylic Acid, Octahydro-6-Oxo-, 2-Methyl Ester, [3S-(3α,4Aα,8Aα)]-, Compd. With (R)-α-Methylbenzenemethanamine (1:1) (9Ci) is a high-purity chiral intermediate of significant importance in advanced organic synthesis. Its value lies in its defined stereochemistry and complex molecular architecture, making it a critical building block for the development of novel active pharmaceutical ingredients (APIs). This compound is essential for research and production teams in the pharmaceutical and fine chemical industries seeking to synthesize sophisticated, optically pure molecules.

Application

• Pharmaceutical Intermediate: Serves as a key chiral synthon in the multi-step synthesis of complex drug candidates, particularly in central nervous system (CNS) and oncology research.
• Asymmetric Synthesis: Used as a starting material or intermediate in catalytic asymmetric reactions to construct stereogenic centers with high enantiomeric purity.
• Process Chemistry Development: Employed in route scouting and optimization for the scalable production of target molecules in pharmaceutical manufacturing.
• Medicinal Chemistry Research: Provides a versatile scaffold for structure-activity relationship (SAR) studies and the creation of novel chemical libraries for biological screening.
• Reference Standard: Acts as a high-purity analytical standard for quality control and method development in regulatory filing and compliance.

Basic Information

Product Name	2,3(1H)-Isoquinolinedicarboxylic Acid, Octahydro-6-Oxo-, 2-Methyl Ester, [3S-(3α,4Aα,8Aα)]-, Compd. With (R)-α-Methylbenzenemethanamine (1:1) (9Ci)
CAS No.	134388-95-7
Molecular Formula	C20H27NO5
Molecular Weight	361.44 g/mol
Synonyms	(3S,3aR,4aS,8aR)-2-Methyl 3-(1-phenylethyl) octahydro-6-oxoisoquinoline-2,3-dicarboxylate; (R)-α-Methylbenzylamine salt of (3S,3aR,4aS,8aR)-2-Methyl octahydro-6-oxoisoquinoline-2,3-dicarboxylate; (1R)-1-Phenylethanaminium (3S,3aR,4aS,8aR)-2-(methoxycarbonyl)-6-oxo-1,2,3,3a,4,4a,7,8-octahydroisoquinoline-3-carboxylate; Chiral Isoquinoline Derivative Salt; (R)-1-Phenylethylamine Salt of a Tetrahydroisoquinolinedione Ester.
EINECS	Contact for details

Quality Control

Our 2,3(1H)-Isoquinolinedicarboxylic Acid, Octahydro-6-Oxo-, 2-Methyl Ester, [3S-(3α,4Aα,8Aα)]-, Compd. With (R)-α-Methylbenzenemethanamine (1:1) (9Ci) is produced under strict quality management systems. Every batch undergoes comprehensive analytical testing, including chiral purity (HPLC), assay, and identification, to ensure it meets the stringent requirements for pharmaceutical R&D and cGMP intermediate use. A detailed Certificate of Analysis (COA) is provided with each shipment, confirming compliance with agreed specifications.

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; therefore, the container should be kept tightly sealed to minimize exposure to atmospheric moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to reference spectrum
Assay (HPLC)	≥ 98.0%
Chiral Purity (HPLC)	≥ 99.0% e.e.
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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