Description

2-(3,4-Dihydroisoquinolin-2(1H)-Yl)-5-Nitrobenzonitrile is a high-purity, advanced pharmaceutical intermediate featuring a unique fused-ring nitrile structure. This compound matters for its critical role as a versatile building block in the synthesis of complex bioactive molecules, particularly in medicinal chemistry research and development. It is primarily needed by pharmaceutical R&D teams, agrochemical innovators, and specialty chemical manufacturers focused on creating novel heterocyclic compounds for drug discovery programs.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of potential drug candidates targeting central nervous system (CNS) disorders, oncology, and infectious diseases.
• Medicinal Chemistry Research: Used as a scaffold for structure-activity relationship (SAR) studies and library synthesis due to its dihydroisoquinoline and electron-withdrawing nitrobenzonitrile motifs.
• Agrochemical Development: Employed in the research and synthesis of novel pesticides and herbicides, leveraging its heterocyclic framework.
• Chemical Biology Probes: Utilized in the development of chemical probes and tool compounds for studying biological pathways and protein functions.
• Organic Synthesis Building Block: Acts as a versatile reagent for constructing complex nitrogen-containing heterocycles through various coupling and cyclization reactions.
• Material Science Research: Investigated for potential use in the synthesis of organic electronic materials and specialty polymers.

Basic Information

Product Name	2-(3,4-Dihydroisoquinolin-2(1H)-Yl)-5-Nitrobenzonitrile
CAS No.	876547-50-1
Molecular Formula	C₁₆H₁₁N₃O₂
Molecular Weight	277.28 g/mol
Synonyms	5-Nitro-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)benzonitrile; 2-(1,2,3,4-Tetrahydroisoquinolin-2-yl)-5-nitrobenzonitrile; 876547-50-1; Benzonitrile, 2-(3,4-dihydro-2(1H)-isoquinolinyl)-5-nitro-; 2-(3,4-Dihydro-1H-isoquinolin-2-yl)-5-nitrobenzonitrile
EINECS	Contact for details

Quality Control

Our 2-(3,4-Dihydroisoquinolin-2(1H)-Yl)-5-Nitrobenzonitrile is manufactured under strict quality management systems to ensure batch-to-batch consistency and high purity for research and development applications. All products undergo rigorous analytical testing, including HPLC, NMR, and mass spectrometry, to confirm identity and purity. Certificates of Analysis (COA) detailing all specifications are available upon request to support your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed in a dry environment to prevent moisture absorption. Keep away from incompatible materials.

Specification

Item	Specification
Appearance	Yellow to light brown crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 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.