2-Phenyl-1,4,5,6-tetrahydropyrimidine hydrochloride

Base Information

• Chemical Name: 2-Phenyl-1,4,5,6-tetrahydropyrimidine hydrochloride
• CAS No.: 5417-73-2
• Molecular Formula: C10H12N2
• Molecular Weight: 196.68
• NSC Number: 11545
• DSSTox Substance ID: DTXSID20179782
• Mol file: 5417-73-2.mol

Synonyms:2-Phenyl-1,4,5,6-tetrahydropyrimidine hydrochloride;5417-73-2;25099-87-0;DTXSID20179782;NSC11545;NSC-11545;2-Phenyl-1,5,6-tetrahydropyrimidine hydrochloride;2-Phenyl-1,4,5,6-tetrahydropyrimidinehydrochloride;Pyrimidine,4,5,6-tetrahydro-2-phenyl-, monohydrochloride;Pyrimidine, 1,4,5,6-tetrahydro-2-phenyl-, monohydrochloride

Chemical Property of 2-Phenyl-1,4,5,6-tetrahydropyrimidine hydrochloride

Chemical Property:

• Vapor Pressure: 0.000459mmHg at 25°C
• Boiling Point: 314.7°Cat760mmHg
• Flash Point: 144.1°C
• Density: 1.09g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 196.0767261
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC(=NC1)C2=CC=CC=C2.Cl

Technology Process of 2-Phenyl-1,4,5,6-tetrahydropyrimidine hydrochloride

There total 1 articles about 2-Phenyl-1,4,5,6-tetrahydropyrimidine hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 60.0%

benzonitrile (100-47-0) + Trimethylenediamine (109-76-2,54018-94-9) → 2-phenyl-1,4,5,6-tetrahydro-pyrimidine; hydrochloride (5417-73-2,25099-87-0)

Guidance literature:

Trimethylenediamine; With n-butyllithium; In tetrahydrofuran; at 20 ℃; for 0.5h; Inert atmosphere;

benzonitrile; In tetrahydrofuran; for 25h; Inert atmosphere;

With hydrogenchloride; In water;

DOI:10.1016/j.tetlet.2015.05.029

upstream raw materials:

benzonitrile

Trimethylenediamine