4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-ethyl-2-thioxo-

Base Information

Chemical Name:4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-ethyl-2-thioxo-
CAS No.:132605-27-7
Molecular Formula:C13H16N2OS2
Molecular Weight:280.4089
Hs Code.:
NSC Number:622291
DSSTox Substance ID:DTXSID80157667
Nikkaji Number:J359.401G
ChEMBL ID:CHEMBL1511564

Synonyms:132605-27-7;BRN 4192893;4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-ethyl-2-thioxo-;NSC622291;3-Ethyl-1,2,3,5,6,7,8,9-octahydro-2-thioxo-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one;3-Ethyl-2-thioxo-1,2,3,5,6,7,8,9-octahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one;3-ethyl-2-thioxo-2,3,6,7,8,9-hexahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one;4-ethyl-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-one;Oprea1_212643;MLS000676242;CHEMBL1511564;DTXSID80157667;REGID_for_CID_1550060;HMS2613I11;CCG-20737;STL305770;AKOS001055287;AKOS002665499;NSC-622291;NCGC00245659-01;LS-56130;SMR000271993;EU-0012214;SR-01000497472;SR-01000497472-1;SR-01000497472-3;Z55666728;F1174-0947;3-ethyl-2-thioxo-1,5,6,7,8,9-hexahydrocyclohepta[[?]:[?]]thieno[[?]]pyrimidin-4-one;1,2,6,7,8,9-Hexahydro-2-thioxo-3-ethyl-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(3H)-one

Suppliers and Price of 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-ethyl-2-thioxo-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-ethyl-2-thioxo-

Chemical Property:

Vapor Pressure:7.08E-09mmHg at 25°C
Boiling Point:466.4°Cat760mmHg
Flash Point:235.9°C
Density:1.36g/cm³
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:280.07040549
Heavy Atom Count:18
Complexity:374

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN1C(=O)C2=C(NC1=S)SC3=C2CCCCC3

Technology Process of 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-ethyl-2-thioxo-

There total 2 articles about 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7,8,9-octahydro-3-ethyl-2-thioxo- 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: 73.0%

: 132605-12-0
2-(3-Ethyl-thioureido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester

: 132605-27-7
3-Ethyl-2-thioxo-1,2,3,5,6,7,8,9-octahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one

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

Reference yield:

: 40106-13-6
2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester

: 132605-27-7
3-Ethyl-2-thioxo-1,2,3,5,6,7,8,9-octahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: 68.5 percent / ethanol / 24 h / Heating

2: 73 percent / HCl / ethanol / 24 h / Heating

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