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

Base Information

Chemical Name:5-methyl-3-phenyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CAS No.:132605-29-9
Molecular Formula:C17H16N2OS2
Molecular Weight:328.4517
Hs Code.:
DSSTox Substance ID:DTXSID80927746
Nikkaji Number:J359.393B
Mol file:132605-29-9.mol

Synonyms:BRN 4199398;132605-29-9;(1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-5-methyl-3-phenyl-2-thioxo-;5-Methyl-3-phenyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one;5-methyl-3-phenyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;5-methyl-3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one;Oprea1_390614;DTXSID80927746;YMUVRKAPBOVRBN-UHFFFAOYSA-N;STK283301;AKOS003594365;LS-41016;AJ-292/40675231;1,2,5,6,7,8-Hexahydro-3-phenyl-5-methyl-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Suppliers and Price of 5-methyl-3-phenyl-2-sulfanyl-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

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

Chemical Property:

Vapor Pressure:3.17E-10mmHg at 25°C
Melting Point:319 °C(Solv: acetic acid (64-19-7))
Boiling Point:502.5°Cat760mmHg
PKA:11.12±0.40(Predicted)
Flash Point:257.7°C
PSA：101.93000
Density:1.41g/cm³
LogP:4.17570
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:328.07040549
Heavy Atom Count:22
Complexity:477

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCCC2=C1C3=C(S2)NC(=S)N(C3=O)C4=CC=CC=C4

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

There total 6 articles about 5-methyl-3-phenyl-2-sulfanyl-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: 51.0%

: 132605-14-2
ethyl 4-methyl-2-(3-phenylthioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

: 132605-29-9
5-Methyl-3-phenyl-2-thioxo-2,3,5,6,7,8-hexahydro-1H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one

Guidance literature:: With hydrogenchloride; In ethanol; for 24h; Heating;
DOI:10.1016/0223-5234(90)90128-P

Reference yield:

: 95211-67-9
(R,S)-ethyl 2-amino-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

: 103-72-0
phenyl isothiocyanate

: 132605-29-9
5-Methyl-3-phenyl-2-thioxo-2,3,5,6,7,8-hexahydro-1H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 130 ℃;
DOI:10.1016/j.bmcl.2017.05.030

Reference yield:

: 95211-67-9
(R,S)-ethyl 2-amino-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

: 132605-29-9
5-Methyl-3-phenyl-2-thioxo-2,3,5,6,7,8-hexahydro-1H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: 53.5 percent / ethanol / 8 h / Heating

2: 51 percent / HCl / ethanol / 24 h / Heating

With hydrogenchloride; In ethanol;
DOI:10.1016/0223-5234(90)90128-P