4-Amino-2-(benzylthio)-6-chloropyrimidine

Base Information

Chemical Name:4-Amino-2-(benzylthio)-6-chloropyrimidine
CAS No.:99983-92-3
Molecular Formula:C11H10ClN3S
Molecular Weight:251.739
Hs Code.:
DSSTox Substance ID:DTXSID20244368
Nikkaji Number:J739.555H
Wikidata:Q83128707
ChEMBL ID:CHEMBL124578

Synonyms:4-amino-2-(benzylthio)-6-chloropyrimidine;U 31,355;U 31355;U-31,355;U-31355

Suppliers and Price of 4-Amino-2-(benzylthio)-6-chloropyrimidine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 0 raw suppliers

Chemical Property of 4-Amino-2-(benzylthio)-6-chloropyrimidine

Chemical Property:

Vapor Pressure:4.97E-08mmHg at 25°C
Boiling Point:442.6°C at 760 mmHg
Flash Point:221.5°C
Density:1.39g/cm³
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:251.0283962
Heavy Atom Count:16
Complexity:211

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N

Technology Process of 4-Amino-2-(benzylthio)-6-chloropyrimidine

There total 3 articles about 4-Amino-2-(benzylthio)-6-chloropyrimidine 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: 75.0%

: 37660-23-4
4-amino-2-(benzylthio)-6-hydroxypyrimidine

: 99983-92-3
2-benzylmercapto-4-amino-6-chloropyrimidine

Guidance literature:: With N,N-dimethyl-aniline; trichlorophosphate; Reflux;
DOI:10.1016/j.bmcl.2015.01.067

Reference yield:

: 100-39-0
benzyl bromide

: 99983-92-3
2-benzylmercapto-4-amino-6-chloropyrimidine

Guidance literature:: Multi-step reaction with 2 steps

1: potassium hydroxide / tetrahydrofuran; water

2: trichlorophosphate; N,N-dimethyl-aniline / Reflux

With N,N-dimethyl-aniline; potassium hydroxide; trichlorophosphate; In tetrahydrofuran; water;
DOI:10.1016/j.bmcl.2015.01.067