2-Sulfamoyl-1,3-benzothiazol-6-yl phenylacetate

Base Information

Chemical Name:2-Sulfamoyl-1,3-benzothiazol-6-yl phenylacetate
CAS No.:86394-93-6
Molecular Formula:C15H12N2O4S2
Molecular Weight:348.403
Hs Code.:
ChEMBL ID:CHEMBL84169
DSSTox Substance ID:DTXSID00530892
Nikkaji Number:J245.768G
Wikidata:Q82402324

Synonyms:CHEMBL84169;2-Sulfamoyl-1,3-benzothiazol-6-yl phenylacetate;86394-93-6;SCHEMBL7933429;DTXSID00530892;MEBIIUBUTCZSJM-UHFFFAOYSA-N;BDBM50405849;2-Sulfamoyl-6-benzothiazolyl 2-Phenylacetate

Suppliers and Price of 2-Sulfamoyl-1,3-benzothiazol-6-yl phenylacetate

Supply Marketing:

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

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Chemical Property of 2-Sulfamoyl-1,3-benzothiazol-6-yl phenylacetate

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:348.02384922
Heavy Atom Count:23
Complexity:528

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)CC(=O)OC2=CC3=C(C=C2)N=C(S3)S(=O)(=O)N

Technology Process of 2-Sulfamoyl-1,3-benzothiazol-6-yl phenylacetate

There total 5 articles about 2-Sulfamoyl-1,3-benzothiazol-6-yl phenylacetate 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: 21.0%

: 1555-80-2
phenylacetic anhydride

: 29927-14-8
6-hydroxy-2-benzothiazolesulfonamide

: 86394-93-6
2-sulfamoyl-6-benzothiazolyl 2-phenylacetate

Guidance literature:: With triethylamine; In N,N-dimethyl-formamide; at 40 - 50 ℃; for 3h;
DOI:10.1021/jm00131a011

Reference yield:

: 452-35-7
6-ethoxybenzothiazole-2-sulfonamide

: 86394-93-6
2-sulfamoyl-6-benzothiazolyl 2-phenylacetate

Guidance literature:: Multi-step reaction with 2 steps

1: 66 percent / AlCl₃ / 1,2-dichloro-ethane / 20 h / 25 °C

2: 21 percent / Et₃N / dimethylformamide / 3 h / 40 - 50 °C

With triethylamine; aluminium trichloride; In 1,2-dichloro-ethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00131a011

Reference yield:

: 120-53-6
6-ethoxy-2-mercaptobenzothiazole

: 86394-93-6
2-sulfamoyl-6-benzothiazolyl 2-phenylacetate

Guidance literature:: Multi-step reaction with 4 steps

1: conc. NH₄OH, NaOCl, 2.01 M aq. NaOH / 0.25 h / 0 - 5 °C

2: 80 percent / KMnO₄, 1 N H₂SO₄ / acetone; H₂O / 1 h / pH=8.0 - 8.1

3: 66 percent / AlCl₃ / 1,2-dichloro-ethane / 20 h / 25 °C

4: 21 percent / Et₃N / dimethylformamide / 3 h / 40 - 50 °C

With ammonium hydroxide; sodium hydroxide; sodium hypochlorite; potassium permanganate; sulfuric acid; triethylamine; aluminium trichloride; In water; 1,2-dichloro-ethane; N,N-dimethyl-formamide; acetone;
DOI:10.1021/jm00131a011