Description

2(1H)-Isoquinolinecarboxylic acid, 5,7-dichloro-3,4-dihydro-6-[[[(1S)-1-[[3-(methylsulfonyl)phenyl]methyl]-2-oxo-2-(phenylmethoxy)ethyl]amino]carbonyl]-, 1,1-dimethylethyl ester is a high-purity, complex organic intermediate with a defined stereochemistry. This compound is critical for pharmaceutical research and development, particularly in the synthesis of targeted small-molecule therapeutics. It is primarily utilized by pharmaceutical companies, contract research organizations (CROs), and advanced academic laboratories engaged in medicinal chemistry and process development.

Application

• Pharmaceutical Intermediate: Key building block in the synthesis of novel active pharmaceutical ingredients (APIs), especially for protease inhibitors or other enzyme-targeted therapies.
• Medicinal Chemistry Research: Used in structure-activity relationship (SAR) studies and lead optimization programs due to its complex, functionalized isoquinoline core.
• Process Chemistry Development: Serves as a critical intermediate for scaling up synthetic routes under current Good Manufacturing Practice (cGMP) conditions.
• Biochemical Probe Synthesis: Utilized in the creation of labeled or modified compounds for pharmacological and mechanistic studies.
• Custom Synthesis & Contract Manufacturing: Supplied for bespoke synthesis projects requiring high chemical purity and strict stereochemical control.

Basic Information

Product Name	2(1H)-Isoquinolinecarboxylic acid, 5,7-dichloro-3,4-dihydro-6-[[[(1S)-1-[[3-(methylsulfonyl)phenyl]methyl]-2-oxo-2-(phenylmethoxy)ethyl]amino]carbonyl]-, 1,1-dimethylethyl ester
CAS No.	1194550-61-2
Molecular Formula	C32H32Cl2N2O7S
Molecular Weight	659.57 g/mol
Synonyms	tert-Butyl 5,7-dichloro-6-({[(2S)-3-(3-{[methylsulfonyl]methyl}phenyl)-2-(benzyloxy)-2-oxo-1-phenylethyl]carbamoyl})-3,4-dihydro-1H-isoquinoline-2-carboxylate; BOC-Dichloroisoquinoline Intermediate; (S)-tert-Butyl 5,7-dichloro-6-((2-(benzyloxy)-1-(3-(methylsulfonyl)benzyl)-2-oxoethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate; CAS 1194550-61-2; 5,7-Dichloro-3,4-dihydro-6-[[[(1S)-1-[[3-(methylsulfonyl)phenyl]methyl]-2-oxo-2-(phenylmethoxy)ethyl]amino]carbonyl]-2(1H)-isoquinolinecarboxylic acid 1,1-dimethylethyl ester
EINECS	Contact for details

Quality Control

This product is manufactured and controlled to meet the exacting standards required for pharmaceutical development. Every batch undergoes comprehensive analytical testing, including HPLC for purity and chiral integrity, NMR for structural confirmation, and MS for identity verification. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting batch-specific results. Our quality system is designed to support regulatory filings, ensuring traceability, consistency, and compliance with relevant guidelines.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive) and should be handled under anhydrous conditions to maintain stability and purity.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (HPLC)	Retention time corresponds to reference standard
Identification (NMR)	Spectrum consistent with structure
Purity (HPLC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Complies with ICH Q3C guidelines

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