5-Oxothiolane-3-carboxylic acid

Base Information

Chemical Name:5-Oxothiolane-3-carboxylic acid
CAS No.:28525-50-0
Molecular Formula:C5H6 O3 S
Molecular Weight:146.16434
Hs Code.:2934999090
European Community (EC) Number:861-646-4
DSSTox Substance ID:DTXSID60390030
Nikkaji Number:J1.134.218C
Mol file:28525-50-0.mol

Synonyms:5-oxothiolane-3-carboxylic acid;28525-50-0;5-oxotetrahydrothiophene-3-carboxylic acid;tetrahydro-5-oxo-3-thiophenecarboxylic acid;C5H6O3S;5-oxothiolane-3-carboxylicacid;SCHEMBL1300320;DTXSID60390030;QLISCFVTVRXTSW-UHFFFAOYSA-N;BDBM433361;US10562844, Compound 13;AKOS004911437;SB12398;CS-0184651;EN300-105983;AP-836/41220349;Z1201622329

Suppliers and Price of 5-Oxothiolane-3-carboxylic acid

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

TRC
5-oxothiolane-3-carboxylicacid
50mg
$ 130.00

American Custom Chemicals Corporation
5-OXOTHIOLANE-3-CARBOXYLIC ACID 95.00%
5MG
$ 498.14

Total 5 raw suppliers

Chemical Property of 5-Oxothiolane-3-carboxylic acid

Chemical Property:

PSA：79.67000
LogP:0.35070
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:146.00376522
Heavy Atom Count:9
Complexity:154

Purity/Quality:

97% ^*data from raw suppliers

5-oxothiolane-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(CSC1=O)C(=O)O

Technology Process of 5-Oxothiolane-3-carboxylic acid

There total 4 articles about 5-Oxothiolane-3-carboxylic acid 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: 95.0%

: 28525-49-7
mercaptomethyl-succinic acid

: 28525-50-0
5-oxotetrahydrothiophene-3-carboxylic acid

Guidance literature:: at 140 - 150 ℃; for 3h;
DOI:10.1039/a708375k

Reference yield: 90.0%

: 97-65-4,25119-64-6
2-methylenesuccinic acid

: 28525-50-0
5-oxotetrahydrothiophene-3-carboxylic acid

Guidance literature:: 2-methylenesuccinic acid; With triethylamine; tiolacetic acid; for 1h; Reflux;

With hydrogenchloride; In water; for 6h; Reflux;

With trifluoroacetic acid; In water; for 2h; Reflux;
DOI:10.1016/j.tet.2016.08.076

Reference yield:

: 100466-79-3
2-[(acetylsulfanyl)methyl]butanedioic acid

: 28525-50-0
5-oxotetrahydrothiophene-3-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: HCl, H₂O / 6 h / Heating

2: TFA / 1 h / Heating

With hydrogenchloride; water; trifluoroacetic acid;
DOI:10.1055/s-1999-3377