4-Chloro-6-(3-methoxyphenyl)-2-methylsulfanylpyrimidine

Base Information

Chemical Name:4-Chloro-6-(3-methoxyphenyl)-2-methylsulfanylpyrimidine
CAS No.:159585-13-4
Molecular Formula:C12H11ClN2OS
Molecular Weight:266.751
Hs Code.:
DSSTox Substance ID:DTXSID20448940
Wikidata:Q82268166
Mol file:159585-13-4.mol

Synonyms:159585-13-4;4-chloro-6-(3-methoxyphenyl)-2-methylsulfanylpyrimidine;SCHEMBL4508819;4-chloro-6-(3-methoxyphenyl)-2-(methylthio)Pyrimidine;DTXSID20448940;AKOS015917106;FT-0770119;4-chloro-6-(3-methoxy-phenyl)-2-methylsulfanyl-pyrimidine;3-[6-chloro-2-(methylsulfanyl)-4-pyrimidinyl]phenyl methyl ether

Suppliers and Price of 4-Chloro-6-(3-methoxyphenyl)-2-methylsulfanylpyrimidine

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
Packaging
price

Total 2 raw suppliers

Chemical Property of 4-Chloro-6-(3-methoxyphenyl)-2-methylsulfanylpyrimidine

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:266.0280618
Heavy Atom Count:17
Complexity:245

Purity/Quality:: 99% ，98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=CC(=C1)C2=CC(=NC(=N2)SC)Cl

Technology Process of 4-Chloro-6-(3-methoxyphenyl)-2-methylsulfanylpyrimidine

There total 3 articles about 4-Chloro-6-(3-methoxyphenyl)-2-methylsulfanylpyrimidine 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%

: 766-85-8
3-methoxy-1-iodobenzene

: 148256-79-5
4-chloro-6-iodo-2-(methylthio)pyrimidine

: 159585-13-4
2-thiomethyl-4-chloro-6-(3-methoxyphenyl)pyrimidine

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; n-butyllithium; zinc(II) chloride; In tetrahydrofuran; 1.) -75 deg C, 3 h; 2.) 60 deg C, 4 d;
DOI:10.1016/S0040-4020(01)81762-2

Reference yield: 64.0%

: 6299-25-8
4,6-Dichloro-2-(methylthio)pyrimidine

: 10365-98-7,1107579-37-2
3-methoxyphenylboronic acid

: 159585-13-4
2-thiomethyl-4-chloro-6-(3-methoxyphenyl)pyrimidine

Guidance literature:: 4,6-Dichloro-2-(methylthio)pyrimidine; 3-methoxyphenylboronic acid; With caesium carbonate; In 1,2-dimethoxyethane; water; for 0.0833333h;

tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; water; at 90 ℃; for 22h;

Reference yield:

: 49844-90-8
4-Chloro-2-methylthiopyrimidine

: 159585-13-4
2-thiomethyl-4-chloro-6-(3-methoxyphenyl)pyrimidine

Guidance literature:: Multi-step reaction with 2 steps

1: 55 percent / 1.) n-BuLi, 2,2,6,6-tetramethylpiperidine; 2.) I₂ / tetrahydrofuran; hexane / -70 °C / 1.) 1.5 h; 2.) 10 min

2: 75 percent / 1.) n-BuLi, ZnCl₂; 2.) Pd(PPh₃)4 / tetrahydrofuran / 1.) -75 deg C, 3 h; 2.) 60 deg C, 4 d

With 2,2,6,6-tetramethyl-piperidine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; n-butyllithium; iodine; zinc(II) chloride; In tetrahydrofuran; hexane;
DOI:10.1016/S0040-4020(01)81762-2