2-(benzylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Base Information

Chemical Name:2-(benzylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CAS No.:324036-21-7
Molecular Formula:C17H16N2OS2
Molecular Weight:328.45
Hs Code.:
DSSTox Substance ID:DTXSID80354295
Wikidata:Q82132352
Mol file:324036-21-7.mol

Synonyms:324036-21-7;2-(benzylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;2-(BENZYLTHIO)-5,6,7,8-TETRAHYDRO-[1]-BENZOTHIENO[2,3-D]PYRIMIDIN-4(1H)-ONE;2-benzylsulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;2-(Benzylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one;AR-434/11843978;DTXSID80354295;STK721958;AKOS003630401;AKOS027379328

Suppliers and Price of 2-(benzylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

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

American Custom Chemicals Corporation
2-(BENZYLTHIO)-5,6,7,8-TETRAHYDRO-[1]-BENZOTHIENO-[2,3-D]PYRIMIDIN-4(1H)-ONE 95.00%
5MG
$ 499.82

Total 2 raw suppliers

Chemical Property of 2-(benzylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Chemical Property:

PSA：99.29000
LogP:4.15570
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:328.07040549
Heavy Atom Count:22
Complexity:462

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

2-(BENZYLTHIO)-5,6,7,8-TETRAHYDRO-[1]-BENZOTHIENO-[2,3-D]PYRIMIDIN-4(1H)-ONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCC4=CC=CC=C4

Technology Process of 2-(benzylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

There total 1 articles about 2-(benzylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-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: 93.0%

: 53162-41-7
ethyl 2-(3-benzoylthioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

: 100-39-0
benzyl bromide

: 324036-21-7
2-(benzylsulfanyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]-pyrimidin-4(3H)-one

Guidance literature:: ethyl 2-(3-benzoylthioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate; With sodium hydroxide; In ethanol; for 2h; Reflux;

benzyl bromide; In ethanol; at 20 ℃; for 2h;
DOI:10.1021/jo4010876

Reference yield: 47.0%

: 324036-21-7
2-(benzylsulfanyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]-pyrimidin-4(3H)-one

: 124-63-0
methanesulfonyl chloride

: 1452776-69-0
2-(benzylsulfanyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]-pyrimidin-4-yl methanesulfonate

Guidance literature:: With dmap; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 1h; regioselective reaction;
DOI:10.1021/jo4010876

Reference yield: 31.0%

: 324036-21-7
2-(benzylsulfanyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]-pyrimidin-4(3H)-one

: 49584-26-1
p-cyanobenzenesulfonyl chloride

: 1452776-68-9
2-(benzylsulfanyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]-pyrimidin-4-yl 4-cyanobenzenesulfonate

Guidance literature:: With dmap; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 0.5h; regioselective reaction;
DOI:10.1021/jo4010876