1398507-08-8

Basic information

• Product Name: 4-(4-aMino-6-chloropyriMidin-2-ylaMino)benzonitrile
• Synonyms: 4-(4-aMino-6-chloropyriMidin-2-ylaMino)benzonitrile;4-[(4-amino-6-chloro-2-pyrimidinyl)amino]benzonitrile
• CAS NO: 1398507-08-8
• Molecular Formula: C₁₁H₈ClN₅
• Molecular Weight: 245.66772
• Mol File: 1398507-08-8.mol
• Article Data: 4

Chemical Properties

• Appearance: /
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• CAS DataBase Reference: 4-(4-aMino-6-chloropyriMidin-2-ylaMino)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-aMino-6-chloropyriMidin-2-ylaMino)benzonitrile(1398507-08-8)
• EPA Substance Registry System: 4-(4-aMino-6-chloropyriMidin-2-ylaMino)benzonitrile(1398507-08-8)

Safety Data

• Hazardous Substances Data: 1398507-08-8(Hazardous Substances Data)

Usage

General Description

4-(4-amino-6-chloropyrimidin-2-ylamino)benzonitrile is a chemical compound with the molecular formula C12H9ClN6. It is a white to off-white solid with a molecular weight of 254.69 g/mol. 4-(4-aMino-6-chloropyriMidin-2-ylaMino)benzonitrile is used in the pharmaceutical industry as an intermediate in the synthesis of various pharmaceutical drugs. It can also be used as a building block in the preparation of various organic compounds. Its properties and applications make it an important and versatile compound in the field of organic chemistry and drug development.

Upstream product

• 10132-07-7 4-amino-2,6-dichloropyrimidine 
• 104-15-4 toluene-4-sulfonic acid 
• 873-74-5 4-Aminobenzonitrile 
• 1398507-07-7 4-(4-amino-6-hydroxy-pyrimidin-2-ylamino)-benzonitrile 
• 5637-42-3 1-(4-cyanophenyl)guanidine 

Downstream Products

• 1404118-66-6 N-[6-chloro-2-(4-cyanophenylamino)pyrimidin-4-yl]benzamide 
• 269055-15-4 etravirine 
• 1404118-67-7 N-[5-bromo-6-chloro-2-(4-cyanophenylamino)-pyrimidin-4-yl]-benzamide 
• 1404118-68-8 N-[5-bromo-6-(4-cyano-2,6-dimethylphenoxy)-2-(4-cyano-phenylamino)pyrimidin-4-yl]-benzamide 
• 1398507-09-9 4-((4-amino-5-bromo-6-chloropyrimidin-2-yl)amino)benzonitrile 

Relevant articles and documents

JAK2 JH2 Fluorescence Polarization Assay and Crystal Structures for Complexes with Three Small Molecules

A competitive fluorescence polarization (FP) assay is reported for determining binding affinities of probe molecules with the pseudokinase JAK2 JH2 allosteric site. The syntheses of the fluorescent 5 and 6 used in the assay are reported as well as Kd results for 10 compounds, including JNJ7706621, NVP-BSK805, and filgotinib (GLPG0634). X-ray crystal structures of JAK2 JH2 in complex with NVP-BSK805, filgotinib, and diaminopyrimidine 8 elucidate the binding poses.

PROCESS FOR THE PRODUCTION OF ETRAVIRINE

A novel process for the preparation of Etravirine comprises the condensing of ethyl cyanoacetate with N-cyanophenylguanidine to obtain an —OH compound of formula (II), which is further converted to a leaving group of formula (III). The compound of formula (III) is optionally protected and brominated to yield compound of formula (IV). The condensation of formula (IV) with 3,5-dimethyl-4-hydroxybenzonitrile yields a compound of formula (VI), and an optional deprotection of the compound of formula (VI) results in Etravirine.