Description

3(S)-3-Hydroxymethyl-3,4-Dihydro-1H-Isoquinoline-2-Carboxylic Acid tert-Butyl Ester is a high-value, chiral building block and advanced pharmaceutical intermediate crucial for the synthesis of complex bioactive molecules. Its significance lies in its stereochemically defined isoquinoline core, which serves as a versatile scaffold for constructing drug candidates targeting neurological and cardiovascular pathways. This compound is primarily needed by research institutions, custom synthesis houses, and pharmaceutical companies engaged in the development of novel therapeutics, particularly within medicinal chemistry and process R&D.

Application

• Pharmaceutical Intermediate: A key chiral synthon in the multi-step synthesis of potential drug candidates, especially those with isoquinoline-based structures.
• Medicinal Chemistry Research: Used as a versatile building block for constructing compound libraries in structure-activity relationship (SAR) studies and lead optimization.
• Asymmetric Synthesis: Employed in chiral pool synthesis and the preparation of enantiomerically pure compounds due to its defined (S)-configuration at the 3-position.
• API Development: Serves as a critical intermediate in the development and scale-up of Active Pharmaceutical Ingredients (APIs) for preclinical and clinical trials.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for bespoke synthesis projects requiring specialized chiral intermediates.
• Biochemical Tool Compound: Potential use in biochemical assays as a probe or inhibitor to study specific enzymatic or receptor-based pathways.

Basic Information

Product Name	3(S)-3-Hydroxymethyl-3,4-Dihydro-1H-Isoquinoline-2-Carboxylic Acid tert-Butyl Ester
CAS No.	183958-71-6
Molecular Formula	C15H19NO3
Molecular Weight	261.32 g/mol
Synonyms	(3S)-3-(Hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester; tert-Butyl (3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate; (S)-3-Hydroxymethyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester; (S)-tert-Butyl 3-(hydroxymethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate; BOC-Isoquinoline derivative; Chiral Isoquinoline Building Block
EINECS	Contact for details

Quality Control

Our 3(S)-3-Hydroxymethyl-3,4-Dihydro-1H-Isoquinoline-2-Carboxylic Acid tert-Butyl Ester is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including chiral HPLC for enantiomeric purity and NMR for structural confirmation, to ensure compliance with high-purity standards for pharmaceutical research. Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are provided with every shipment.

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). The compound may be hygroscopic; therefore, containers should be kept tightly sealed in a dry environment to prevent moisture uptake.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 98.0%
Enantiomeric Purity (Chiral HPLC)	≥ 99.0% ee
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.