4-[2-(Methylthio)pyrimidine-4-yl]benzoic acid ethyl ester

Base Information

Chemical Name:4-[2-(Methylthio)pyrimidine-4-yl]benzoic acid ethyl ester
CAS No.:259541-93-0
Molecular Formula:C₁₄H₁₄N₂O₂S
Molecular Weight:274.343
Hs Code.:
DSSTox Substance ID:DTXSID201248209
Nikkaji Number:J2.878.138E

Synonyms:DTXSID201248209;Ethyl 4-[2-(methylthio)-4-pyrimidinyl]benzoate;4-[2-(Methylthio)pyrimidine-4-yl]benzoic acid ethyl ester;259541-93-0

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

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Chemical Property of 4-[2-(Methylthio)pyrimidine-4-yl]benzoic acid ethyl ester

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:274.07759887
Heavy Atom Count:19
Complexity:293

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C1=CC=C(C=C1)C2=NC(=NC=C2)SC

Technology Process of 4-[2-(Methylthio)pyrimidine-4-yl]benzoic acid ethyl ester

There total 1 articles about 4-[2-(Methylthio)pyrimidine-4-yl]benzoic acid ethyl ester 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%

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

: 5798-75-4
Ethyl 4-bromobenzoate

: 259541-93-0
4-(2-methylsulfanylpyrimidin-4-yl)benzoic acid ethyl ester

Guidance literature:: With 3-chloroprop-1-ene; trifluoroacetic acid; cobalt(II) bromide; zinc; In acetonitrile; at 50 ℃; for 1.5h;
DOI:10.1021/jo900240d

Reference yield: 88.0%

: C₁₀H₁₃ClO₃Zn*ClLi

: 259541-93-0
4-(2-methylsulfanylpyrimidin-4-yl)benzoic acid ethyl ester

: 1187334-96-8
C₂₃H₂₄N₂O₅

Guidance literature:: C₁₀H₁₃ClO₃Zn*ClLi; With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; In tetrahydrofuran; for 0.166667h; Inert atmosphere;

4-(2-methylsulfanylpyrimidin-4-yl)benzoic acid ethyl ester; In tetrahydrofuran; at 25 ℃; Inert atmosphere;
DOI:10.1021/ol9017003

Reference yield: 65.0%

: 104-92-7
1-bromo-4-methoxy-benzene

: 259541-93-0
4-(2-methylsulfanylpyrimidin-4-yl)benzoic acid ethyl ester

: 1241667-99-1
4-[2-(4-methoxyphenyl)pyrimidin-4-yl]benzoic acid ethyl ester

Guidance literature:: With 3-chloroprop-1-ene; trifluoroacetic acid; cobalt(II) bromide; zinc; In acetonitrile; at 50 ℃; for 7h;
DOI:10.1039/c0cc01055c