3-Ethyl-7-methyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one

Base Information

Chemical Name:3-Ethyl-7-methyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
CAS No.:132605-26-6
Molecular Formula:C13H16N2OS2
Molecular Weight:280.4089
Hs Code.:
DSSTox Substance ID:DTXSID20927745
Nikkaji Number:J359.398C

Synonyms:132605-26-6;BRN 4193251;4-Ethyl-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one;3-Ethyl-7-methyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one;(1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-3-ethyl-7-methyl-2-thioxo-;3-ethyl-7-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one;Oprea1_706224;DTXSID20927745;CCG-20738;AKOS000266945;AKOS001044475;AKOS016038917;AKOS016043270;4-ethyl-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0?,?]trideca-1(9),2(7),5-trien-3-one;LS-41014;CS-0219897;EU-0012224;EN300-05247;SR-01000497476;SR-01000497476-1;Z55665000;F1174-0962;1,2,5,6,7,8-Hexahydro-3-ethyl-7-methyl-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;3-Ethyl-2,3,5,6,7,8-hexahydro-7-methyl-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one;3-Ethyl-7-methyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;3-ethyl-7-methyl-2-thioxo-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one

Suppliers and Price of 3-Ethyl-7-methyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-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
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Total 2 raw suppliers

Chemical Property of 3-Ethyl-7-methyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one

Chemical Property:

Vapor Pressure:1.72E-08mmHg at 25°C
Boiling Point:455.7°Cat760mmHg
Flash Point:229.4°C
Density:1.36g/cm³
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:280.07040549
Heavy Atom Count:18
Complexity:387

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN1C(=O)C2=C(NC1=S)SC3=C2CCC(C3)C

Technology Process of 3-Ethyl-7-methyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one

There total 2 articles about 3-Ethyl-7-methyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-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: 61.0%

: 132605-11-9
2-(3-Ethyl-thioureido)-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester

: 132605-26-6
3-Ethyl-7-methyl-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:

: 76981-71-0
2-amino-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester

: 132605-26-6
3-Ethyl-7-methyl-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: 93 percent / ethanol / 15 h / Heating

2: 61 percent / HCl / ethanol / 24 h / Heating

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