Description

5-Methyl-7-Phenyl-6,7-Dihydro-1H-1,4-Diazepine-2,3-Dicarbonitrile is a specialized heterocyclic organic compound featuring a diazepine core, which is a key structural motif in medicinal chemistry and advanced material science. This compound is valued for its role as a versatile chemical building block and pharmacophore intermediate in the synthesis of complex molecules. It is primarily sought by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and fine chemical industries for creating novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Serves as a critical precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders, due to its diazepine scaffold.
• Agrochemical Research: Used in the development of new pesticides and herbicides, where its heterocyclic structure can contribute to unique modes of action.
• Ligand and Catalyst Development: Acts as a starting material for creating specialized ligands used in asymmetric catalysis and metal-organic frameworks (MOFs).
• Material Science: Investigated for the preparation of organic semiconductors, dyes, and photoactive materials owing to its conjugated nitrile groups.
• Academic & Contract Research: A valuable reagent for universities and CROs (Contract Research Organizations) conducting research in heterocyclic and medicinal chemistry.
• Custom Synthesis: Employed as a key fragment for the custom synthesis of complex, high-value molecules for client-specific projects.

Basic Information

Product Name	5-Methyl-7-Phenyl-6,7-Dihydro-1H-1,4-Diazepine-2,3-Dicarbonitrile
CAS No.	51802-61-0
Molecular Formula	C15H12N4
Molecular Weight	248.29 g/mol
Synonyms	5-Methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile; 1H-1,4-Diazepine-2,3-dicarbonitrile, 6,7-dihydro-5-methyl-7-phenyl-; 7-Phenyl-5-methyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile; 5-Methyl-7-phenyl-1,4-diazepine-2,3-dicarbonitrile; Diazepine dicarbonitrile derivative; Contact for additional synonyms.
EINECS	Contact for details

Quality Control

Our 5-Methyl-7-Phenyl-6,7-Dihydro-1H-1,4-Diazepine-2,3-Dicarbonitrile is manufactured under a strict quality management system. Every batch undergoes comprehensive analytical testing, including HPLC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide a detailed Certificate of Analysis (COA) with each shipment, documenting all critical quality attributes. Our production adheres to cGMP principles where applicable, ensuring reliability for research and scale-up activities.

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). Keep the container tightly sealed to minimize exposure to atmospheric moisture. Store away from incompatible materials.

Specification

Item	Specification
Appearance	Off-white to light yellow 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.