Description

3-Formyl-3,4-Dihydro-1H-Isoquinoline-2-Carboxylic Acid tert-Butyl Ester is a versatile and high-value synthetic intermediate, specifically designed for advanced pharmaceutical and fine chemical synthesis. Its core value lies in its bifunctional reactivity, offering both a protected carboxylic acid group and a formyl group for further derivatization, which is critical for constructing complex heterocyclic scaffolds. This compound is essential for research chemists and process development teams in the pharmaceutical industry, particularly those focused on developing novel central nervous system (CNS) agents, kinase inhibitors, and other bioactive molecules.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of novel drug candidates, particularly those targeting neurological disorders and cancers.
• Organic Synthesis Reagent: Used in multi-step synthetic routes for constructing complex isoquinoline and tetrahydroisoquinoline derivatives.
• Research & Development (R&D): Serves as a critical starting material in medicinal chemistry programs for lead optimization and structure-activity relationship (SAR) studies.
• Fine Chemical Production: Employed in the manufacture of specialty chemicals, agrochemicals, and advanced materials requiring specific isoquinoline motifs.
• Protecting Group Strategy: The tert-butyl ester group provides a stable, acid-labile protecting group for carboxylic acids during complex synthetic sequences.

Basic Information

Product Name	3-Formyl-3,4-Dihydro-1H-Isoquinoline-2-Carboxylic Acid tert-Butyl Ester
CAS No.	104668-15-7
Molecular Formula	C15H17NO3
Molecular Weight	259.30 g/mol
Synonyms	1,2,3,4-Tetrahydro-3-formyl-2-isoquinolinecarboxylic acid 1,1-dimethylethyl ester; tert-Butyl 3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate; 3-Formyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester; 2-tert-Butoxycarbonyl-3-formyl-1,2,3,4-tetrahydroisoquinoline; Boc-3-CHO-THIQ; 3-Formyl-N-Boc-1,2,3,4-tetrahydroisoquinoline
EINECS	Contact for details

Quality Control

Our production of 3-Formyl-3,4-Dihydro-1H-Isoquinoline-2-Carboxylic Acid tert-Butyl Ester adheres to stringent quality management protocols. Every batch undergoes rigorous analytical testing, including HPLC, NMR, and mass spectrometry, to ensure high chemical purity and structural integrity. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical specifications. Our quality systems are designed to support cGMP and ISO standards for pharmaceutical intermediates, ensuring traceability and batch-to-batch consistency for our global clients.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This compound is easily oxidized (store under inert atmosphere) and is light-sensitive (store away from light). For long-term storage, consider storing under an inert gas such as nitrogen or argon in a sealed container. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 3.0%

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