Ethyl 5-thioxo-L-prolinate

Base Information

Chemical Name:Ethyl 5-thioxo-L-prolinate
CAS No.:80442-95-1
Molecular Formula:C7H11NO2S
Molecular Weight:173.236
Hs Code.:
European Community (EC) Number:279-472-7
DSSTox Substance ID:DTXSID301001242
Nikkaji Number:J320.275E
Wikidata:Q82995101
Mol file:80442-95-1.mol

Synonyms:80442-95-1;(S)-ethyl 5-thioxopyrrolidine-2-carboxylate;Ethyl 5-thioxo-L-prolinate;EINECS 279-472-7;Ethyl (2S)-5-sulfanylidenepyrrolidine-2-carboxylate;DTXSID301001242;NS00061914;Ethyl 5-sulfanyl-3,4-dihydro-2H-pyrrole-2-carboxylate

Suppliers and Price of Ethyl 5-thioxo-L-prolinate

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

Total 5 raw suppliers

Chemical Property of Ethyl 5-thioxo-L-prolinate

Chemical Property:

Vapor Pressure:0.0338mmHg at 25°C
Boiling Point:242.5°C at 760 mmHg
Flash Point:100.5°C
PSA：77.46000
Density:1.21g/cm³
LogP:0.47580
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:173.05104977
Heavy Atom Count:11
Complexity:181

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1CCC(=S)N1
Isomeric SMILES:CCOC(=O)[C@@H]1CCC(=S)N1

Technology Process of Ethyl 5-thioxo-L-prolinate

There total 2 articles about Ethyl 5-thioxo-L-prolinate 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: 92.0%

: 7149-65-7
ethyl (S)-pyroglutamate

: 80442-95-1
ethyl (2S)-5-thioxo-3,4-dihydro-5H-pyrrole-2-carboxylate

Guidance literature:: With Lawessons reagent; In toluene; for 1h; Heating;
DOI:10.1039/b404679j

Reference yield:

: 56-86-0,21675-62-7,23009-64-5,25104-13-6,84960-48-5,25513-46-6
L-glutamic acid

: 80442-95-1
ethyl (2S)-5-thioxo-3,4-dihydro-5H-pyrrole-2-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / SOCl₂ / 1.5 h / Heating

2: 92 percent / Lawesson's reagent / toluene / 1 h / Heating

With Lawessons reagent; thionyl chloride; In toluene;
DOI:10.1039/b404679j