Description

2(1H)-Isoquinolinecarboxylic Acid, 5-Cyano-3,4-Dihydro-, 1,1-Dimethylethyl Ester is a high-value, multi-functional heterocyclic building block. This compound matters as a critical synthetic intermediate, enabling the construction of complex molecular architectures with precision. It is primarily needed by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of potential drug candidates, particularly those targeting central nervous system (CNS) disorders or possessing kinase inhibitory activity.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides, leveraging the isoquinoline scaffold's bioactivity.
• Material Science Precursor: Serves as a monomer or functionalizing agent in the development of advanced organic electronic materials and specialty polymers.
• Chemical Synthesis Reagent: Employed in organic synthesis for constructing fused heterocyclic systems and introducing the cyano and ester functional groups into target molecules.
• Academic & Contract Research: Essential for medicinal chemistry programs and methodological studies in universities and contract research organizations (CROs).

Basic Information

Product Name	2(1H)-Isoquinolinecarboxylic Acid, 5-Cyano-3,4-Dihydro-, 1,1-Dimethylethyl Ester
CAS No.	601514-57-2
Molecular Formula	C15H16N2O2
Molecular Weight	256.30 g/mol
Synonyms	tert-Butyl 5-cyano-3,4-dihydro-1H-isoquinoline-2-carboxylate; 5-Cyano-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester; 1,1-Dimethylethyl 5-cyano-3,4-dihydro-2(1H)-isoquinolinecarboxylate; 5-Cyano-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline; 2-Boc-5-cyano-1,2,3,4-tetrahydroisoquinoline; Boc-5-CN-THIQ; 5-Cyano-THIQ-Boc ester
EINECS	Contact for details

Quality Control

Our 2(1H)-Isoquinolinecarboxylic Acid, 5-Cyano-3,4-Dihydro-, 1,1-Dimethylethyl Ester is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, NMR, and MS, to ensure high purity and batch-to-batch consistency suitable for research and development. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment.

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 material is hygroscopic (moisture-sensitive); keep the container tightly sealed in a dry environment to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference standard
Purity (HPLC)	≥ 97.0%
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.