2-[2-(Methylsulfanyl)pyrimidin-4-yl]-1-phenylethan-1-one

Base Information

Chemical Name:2-[2-(Methylsulfanyl)pyrimidin-4-yl]-1-phenylethan-1-one
CAS No.:340042-28-6
Molecular Formula:C13H12N2OS
Molecular Weight:244.31200
Hs Code.:
DSSTox Substance ID:DTXSID10514401
Nikkaji Number:J1.877.139J
Wikidata:Q82374714

Synonyms:340042-28-6;2-[2-(Methylsulfanyl)pyrimidin-4-yl]-1-phenylethan-1-one;2-(2-methylsulfanylpyrimidin-4-yl)-1-phenylethanone;2-(2-(methylthio)pyrimidin-4-yl)-1-phenylethanone;SCHEMBL2933353;DTXSID10514401;RERFOTMKOSGPFE-UHFFFAOYSA-N;AKOS030598693;2-(2-methylthio-pyrimidin-4-yl)-1-phenyl-ethanone;2-[2-(methylthio-4-pyrimidinyl)]-1-phenylethanone;2-[2-(methyl thio)pyrimidin-4-yl]-1-phenyle thanone

Suppliers and Price of 2-[2-(Methylsulfanyl)pyrimidin-4-yl]-1-phenylethan-1-one

Supply Marketing:

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

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Chemical Property of 2-[2-(Methylsulfanyl)pyrimidin-4-yl]-1-phenylethan-1-one

Chemical Property:

PSA：68.15000
LogP:2.62390
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:244.06703418
Heavy Atom Count:17
Complexity:254

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC1=NC=CC(=N1)CC(=O)C2=CC=CC=C2

Technology Process of 2-[2-(Methylsulfanyl)pyrimidin-4-yl]-1-phenylethan-1-one

There total 4 articles about 2-[2-(Methylsulfanyl)pyrimidin-4-yl]-1-phenylethan-1-one 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: 90.0%

: 14001-63-9
2-methylthio-4-methylpyrimidine

: 93-89-0,99341-95-4
benzoic acid ethyl ester

: 340042-28-6
2-[2-(methylthio)-4-pyrimidinyl]-1-phenylethanone

Guidance literature:: With sodium hexamethyldisilazane; In tetrahydrofuran;
DOI:10.1016/S0960-894X(02)01020-X

Reference yield: 85.0%

: 14001-63-9
2-methylthio-4-methylpyrimidine

: 6919-61-5
N-methoxy-N-methylbenzamide

: 340042-28-6
2-[2-(methylthio)-4-pyrimidinyl]-1-phenylethanone

Guidance literature:: 2-methylthio-4-methylpyrimidine; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -80 - -5 ℃;

N-methoxy-N-methylbenzamide; In tetrahydrofuran; hexane; at -80 ℃; Reflux;

With hydrogenchloride; In tetrahydrofuran; hexane; water;
DOI:10.1007/s00706-008-0047-9

Reference yield:

: 35071-17-1,774119-15-2
2-mercapto-6-methylpyrimidine

: 340042-28-6
2-[2-(methylthio)-4-pyrimidinyl]-1-phenylethanone

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / aq. NaOH

2: 90 percent / NaHMDS / tetrahydrofuran

With sodium hydroxide; sodium hexamethyldisilazane; In tetrahydrofuran;
DOI:10.1016/S0960-894X(02)01020-X