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

Base Information

Chemical Name:3,7-Dimethyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
CAS No.:132627-72-6
Molecular Formula:C12H14N2OS2
Molecular Weight:266.3824
Hs Code.:
DSSTox Substance ID:DTXSID90927752
Nikkaji Number:J359.397E
ChEMBL ID:CHEMBL1394681

Synonyms:BRN 4192176;(1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-3,7-dimethyl-2-thioxo-;3,7-Dimethyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one;132627-72-6;3,7-dimethyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;2-mercapto-3,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;MLS001198306;CHEMBL1394681;DTXSID90927752;REGID_for_CID_2920461;HMS2885K23;STK663540;AKOS001736161;NCGC00245896-01;LS-41012;SMR000559172;EU-0052441;SR-01000528536;SR-01000528536-1;1,2,5,6,7,8-Hexahydro-3,7-dimethyl-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Suppliers and Price of 3,7-Dimethyl-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

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

Chemical Property:

Vapor Pressure:3.61E-08mmHg at 25°C
Boiling Point:446.6°Cat760mmHg
Flash Point:223.9°C
Density:1.4g/cm³
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:266.05475542
Heavy Atom Count:17
Complexity:374

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)C

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

There total 2 articles about 3,7-Dimethyl-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: 90.0%

: 132605-05-1
6-Methyl-2-(3-methyl-thioureido)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester

: 132627-72-6
3,7-Dimethyl-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

: 132627-72-6
3,7-Dimethyl-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: 66 percent / ethanol / 17 h / Heating

2: 90 percent / HCl / ethanol / 24 h / Heating

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