ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Base Information

Chemical Name:ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CAS No.:132605-17-5
Molecular Formula:C19H22N2O2S2
Molecular Weight:374.5202
Hs Code.:
DSSTox Substance ID:DTXSID80927741
Wikidata:Q82902396
ChEMBL ID:CHEMBL1608279
Mol file:132605-17-5.mol

Synonyms:BRN 4205127;132605-17-5;CHEMBL1608279;ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate;ethyl 2-[(anilinocarbonothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate;CBMicro_010494;Oprea1_614760;MLS000572563;DTXSID80927741;HMS2485K07;SMSF0013095;BDBM50582570;MFCD01825055;STK039760;AKOS001621568;CB13480;NCGC00245773-01;LS-56134;SMR000194062;BIM-0010379.P001;SR-01000440091;SR-01000440091-1;N-[3-(Ethoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-N'-phenylcarbamimidothioic acid

Suppliers and Price of ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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
ETHYL 2-[(PHENYLCARBAMOTHIOYL)AMINO]-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE 95.00%
5MG
$ 500.30

Total 0 raw suppliers

Chemical Property of ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Chemical Property:

Vapor Pressure:1.47E-11mmHg at 25°C
Boiling Point:535.9°Cat760mmHg
Flash Point:277.9°C
PSA：117.73000
Density:1.308g/cm³
LogP:5.29610
XLogP3:5.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:374.11227030
Heavy Atom Count:25
Complexity:468

Purity/Quality:: ETHYL 2-[(PHENYLCARBAMOTHIOYL)AMINO]-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CC=CC=C3

Technology Process of ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

There total 3 articles about ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate 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: 96.0%

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

: 103-72-0
phenyl isothiocyanate

: 132605-17-5
ethyl 2-(3-phenylthioureido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Guidance literature:: In ethanol; at 20 ℃; Reflux;
DOI:10.1002/jhet.2678

Reference yield:

: 105-56-6
ethyl 2-cyanoacetate

: 132605-17-5
ethyl 2-(3-phenylthioureido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: sulfur; diethylamine / ethanol; methanol / 20 °C / Sonication

2: ethanol / Reflux

With sulfur; diethylamine; In methanol; ethanol;
DOI:10.1021/acs.jmedchem.0c02266

Reference yield:

: 502-42-1
cycloheptanone

: 132605-17-5
ethyl 2-(3-phenylthioureido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: sulfur; diethylamine / ethanol; methanol / 20 °C / Sonication

2: ethanol / Reflux

With sulfur; diethylamine; In methanol; ethanol;
DOI:10.1021/acs.jmedchem.0c02266