Ethyl 4,6-diphenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate

Base Information

Chemical Name:Ethyl 4,6-diphenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
CAS No.:154866-93-0
Molecular Formula:C19H18N2O2S
Molecular Weight:338.43
Hs Code.:
DSSTox Substance ID:DTXSID001153686
Nikkaji Number:J2.467.017A
Mol file:154866-93-0.mol

Synonyms:ethyl 4,6-diphenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate;ethyl 4,6-diphenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate;CBMicro_005067;SCHEMBL10112945;DTXSID001153686;SMSF0003493;STK010348;STL308330;AKOS000369093;AKOS001628305;AKOS022081334;CB07083;NCGC00326222-01;154866-93-0;BIM-0004978.P001;EU-0073794;AB01320720-02;SR-01000453262;SR-01000453262-1;Ethyl 1,2,3,4-tetrahydro-4,6-diphenyl-2-thioxo-5-pyrimidinecarboxylate;2-Thioxo-4,6-diphenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester

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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 Ethyl 4,6-diphenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:338.10889899
Heavy Atom Count:24
Complexity:506

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of Ethyl 4,6-diphenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate

There total 4 articles about Ethyl 4,6-diphenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate 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: 91.0%

: 94-02-0
ethyl 3-oxo-3-phenylpropionate

: 100-52-7
benzaldehyde

: 17356-08-0
thiourea

: 154866-93-0
ethyl 4,6-diphenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Guidance literature:: With cerium(III) p-toluenesulfonate tetrahydrate; In neat (no solvent); at 80 ℃; for 2.3h; Green chemistry;
DOI:10.1080/00304948.2020.1794222

Reference yield: 80.2%

: 4-hydroxy-4,6-diphenyl-5-ethoxycarbonylhexahydropyrimidine-2-thione

: 154866-93-0
ethyl 4,6-diphenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Guidance literature:: With toluene-4-sulfonic acid; In ethanol; for 1h; Heating;
DOI:10.1007/BF02290753

Reference yield:

: 94-02-0
ethyl 3-oxo-3-phenylpropionate

: 154866-93-0
ethyl 4,6-diphenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 85.7 percent / NaH / acetonitrile / 1.) 0 deg C, 5 min, 2.) room temperature, 48 h

2: 80.2 percent / TsOH*H₂O / ethanol / 1 h / Heating

With sodium hydride; toluene-4-sulfonic acid; In ethanol; acetonitrile;
DOI:10.1007/BF02290753