(4-Methoxyphenyl)[2-(methylthio)-5-pyrimidinyl]methanone

Base Information

Chemical Name:(4-Methoxyphenyl)[2-(methylthio)-5-pyrimidinyl]methanone
CAS No.:111253-05-5
Molecular Formula:C₁₃H₁₂N₂O₂S
Molecular Weight:260.316
Hs Code.:
DSSTox Substance ID:DTXSID201199765

Synonyms:111253-05-5;(4-Methoxyphenyl)[2-(methylthio)-5-pyrimidinyl]methanone;DTXSID201199765

Suppliers and Price of (4-Methoxyphenyl)[2-(methylthio)-5-pyrimidinyl]methanone

Supply Marketing:

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

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Chemical Property of (4-Methoxyphenyl)[2-(methylthio)-5-pyrimidinyl]methanone

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:260.06194880
Heavy Atom Count:18
Complexity:272

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=CC=C(C=C1)C(=O)C2=CN=C(N=C2)SC

Technology Process of (4-Methoxyphenyl)[2-(methylthio)-5-pyrimidinyl]methanone

There total 3 articles about (4-Methoxyphenyl)[2-(methylthio)-5-pyrimidinyl]methanone 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: 92.0%

: 111253-00-0
5-(4-anisoyl)-2-methylthiopyrimidine-4-carboxylic acid

: 111253-05-5
5-(4-anisoyl)-2-methylthiopyrimidine

Guidance literature:: In various solvent(s); for 2.5h; Heating;

Reference yield:

: 50593-92-5
5-bromo-2-methylsulfanyl-pyrimidine-4-carboxylic acid

: 111253-05-5
5-(4-anisoyl)-2-methylthiopyrimidine

Guidance literature:: Multi-step reaction with 2 steps

1: 35 percent / 1.) butyllithium, 2.) aq. HCl / hexane; tetrahydrofuran / 1.) -90 deg C, 80 deg C, 80 min; -90 deg C, 15 min, 80 deg C, 2 h, 2.) -50 deg C

2: 92 percent / various solvent(s) / 2.5 h / Heating

With hydrogenchloride; n-butyllithium; In tetrahydrofuran; hexane;

Reference yield:

: 100-07-2
4-methoxy-benzoyl chloride

: 111253-05-5
5-(4-anisoyl)-2-methylthiopyrimidine

Guidance literature:: Multi-step reaction with 2 steps

1: 35 percent / 1.) butyllithium, 2.) aq. HCl / hexane; tetrahydrofuran / 1.) -90 deg C, 80 deg C, 80 min; -90 deg C, 15 min, 80 deg C, 2 h, 2.) -50 deg C

2: 92 percent / various solvent(s) / 2.5 h / Heating

With hydrogenchloride; n-butyllithium; In tetrahydrofuran; hexane;