2-Oxo-2,3-dihydro-1,3-benzothiazole-7-carboxylic acid

Base Information

Chemical Name:2-Oxo-2,3-dihydro-1,3-benzothiazole-7-carboxylic acid
CAS No.:178999-43-4
Molecular Formula:C₈H₅NO₃S
Molecular Weight:195.199
Hs Code.:
DSSTox Substance ID:DTXSID10445004
Wikidata:Q82263314
Mol file:178999-43-4.mol

Synonyms:178999-43-4;2-Oxo-2,3-dihydro-1,3-benzothiazole-7-carboxylic acid;2-Oxo-3H-1,3-benzothiazole-7-carboxylic acid;7-Benzothiazolecarboxylicacid,2,3-dihydro-2-oxo-(9CI);SCHEMBL11356434;DTXSID10445004

Suppliers and Price of 2-Oxo-2,3-dihydro-1,3-benzothiazole-7-carboxylic acid

Supply Marketing:

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

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of 2-Oxo-2,3-dihydro-1,3-benzothiazole-7-carboxylic acid

Chemical Property:

XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:194.99901420
Heavy Atom Count:13
Complexity:256

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C2C(=C1)NC(=O)S2)C(=O)O

Technology Process of 2-Oxo-2,3-dihydro-1,3-benzothiazole-7-carboxylic acid

There total 5 articles about 2-Oxo-2,3-dihydro-1,3-benzothiazole-7-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: 98.0%

: 178999-38-7
2-(1-methylethoxy)-1,3-benzothiazole-7-carboxylic acid

: 178999-43-4
2-oxo-2,3-dihydro-1,3-benzothiazole-7-carboxylic acid

Guidance literature:: With sulfuric acid; for 48h; Heating;
DOI:10.1021/jo960203z

Reference yield:

: 404-72-8
3-fluorophenyl isothiocyanate

: 178999-43-4
2-oxo-2,3-dihydro-1,3-benzothiazole-7-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 71 percent / Et₃N / 12 h / Heating

2: 1.) t-BuLi / 1) pentane, -80 - -30 deg C; 2) pentane, -70 - -30 deg C

3: 98 percent / aq. H₂SO₄ / 48 h / Heating

With sulfuric acid; tert.-butyl lithium; triethylamine;
DOI:10.1021/jo960203z

Reference yield:

: 20399-33-1
N-(3-chlorophenyl)thiocarbamic acid O-(1-methylethyl)ester

: 178999-43-4
2-oxo-2,3-dihydro-1,3-benzothiazole-7-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) t-BuLi / 1) pentane, -80 - -30 deg C; 2) pentane, -70 - -30 deg C

2: 98 percent / aq. H₂SO₄ / 48 h / Heating

With sulfuric acid; tert.-butyl lithium;
DOI:10.1021/jo960203z