864069-00-1

Basic information

• Product Name: 2-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZONITRILE
• Synonyms: 2-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZONITRILE;2-[(4-Methylpiperazin-1-yl)methyl]benzonitrile 97%
• CAS NO: 864069-00-1
• Molecular Formula: C₁₃H₁₇N₃
• Molecular Weight: 215.29
• Mol File: 864069-00-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 329.3°C at 760 mmHg
• Flash Point: 136.4°C
• Appearance: /
• Density: 1.11g/cm³
• Vapor Pressure: 0.000179mmHg at 25°C
• Refractive Index: 1.587
• CAS DataBase Reference: 2-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZONITRILE(864069-00-1)
• EPA Substance Registry System: 2-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZONITRILE(864069-00-1)

Safety Data

• Hazardous Substances Data: 864069-00-1(Hazardous Substances Data)

Usage

Uses

2-((4-Methylpiperazin-1-yl)methyl)benzonitrile is an impurity of Imatinib (G407000). It is a COVID19-related research product.

InChI:InChI=1/C13H17N3/c1-15-6-8-16(9-7-15)11-13-5-3-2-4-12(13)10-14/h2-5H,6-9,11H2,1H3

Upstream product

• 1015484-22-6 1-methyl-4-((trifluoro-λ⁴-boranyl)methyl)piperazine potassium 
• 2042-37-7 o-cyanobromobenzene 

Relevant articles and documents

Aminomethylation via cyclopalladated-ferrocenylimine-complexes-catalyzed Suzuki-Miyaura coupling of aryl halides with potassium N, N - dialkylaminomethyltrifluoroborates

Using cyclopalladated ferrocenylimine complexes (1-3 mol%) as catalysts, the Suzuki-Miyaura coupling of potassium N,N-dialkylaminomethyltrifluoroborates with aryl and heteroaryl halides were carried out in a 10:1 THF-H2O mixture at 80° in the presence of Cs2CO3 (3.0 equiv) as base, giving the desired cross-coupling products in 14-87% yields. A variety of potassium alkyltrifluoroborates were also examined. Georg Thieme Verlag Stuttgart New York.