2,3-Dihydro-2-oxobenzoxazole-6-sulphonamide

Base Information

• Chemical Name: 2,3-Dihydro-2-oxobenzoxazole-6-sulphonamide
• CAS No.: 22876-18-2
• Molecular Formula: C7H6 N2 O4 S
• Molecular Weight: 214.202
• Hs Code.: 2935009090
• European Community (EC) Number: 245-281-2
• DSSTox Substance ID: DTXSID50177418
• Nikkaji Number: J286.334K
• Wikidata: Q83047747
• ChEMBL ID: CHEMBL4554926
• Mol file: 22876-18-2.mol

Synonyms:22876-18-2;2,3-Dihydro-2-oxobenzoxazole-6-sulphonamide;2-oxo-3H-1,3-benzoxazole-6-sulfonamide;6-Benzoxazolesulfonamide,2,3-dihydro-2-oxo-;2-Oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonamide;EINECS 245-281-2;2-Oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide;6-Benzoxazolesulfonamide, 2,3-dihydro-2-oxo-;6-sulfonamidobenzoxazolone;Oprea1_294688;Oprea1_398529;CHEMBL4554926;SCHEMBL15661830;DTXSID50177418;6-Benzoxazolinesulfonamide, 2-oxo-;AKOS000147917;2-Hydroxybenzo[d]oxazole-6-sulfonamide;2,3-Dihydro-2-oxo-6-benzoxazolesulfonamide;CS-0242612;EN300-252836;Benzoxazole-6-sulfonamide, 2,3-dihydro-2-oxo-;2-Oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide #

Chemical Property of 2,3-Dihydro-2-oxobenzoxazole-6-sulphonamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 114.80000
• Density: 1.634g/cm³
• LogP: 1.96190
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 214.00482785
• Heavy Atom Count: 14
• Complexity: 347

Purity/Quality:

99% ^*data from raw suppliers

2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1S(=O)(=O)N)OC(=O)N2

Technology Process of 2,3-Dihydro-2-oxobenzoxazole-6-sulphonamide

There total 2 articles about 2,3-Dihydro-2-oxobenzoxazole-6-sulphonamide 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:

2-oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonyl chloride (27685-90-1) → 2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid amide (22876-18-2)

Guidance literature:

With ammonium hydroxide;

DOI:10.1021/ja01848a513

Reference yield:

2-Benzoxazolinone (59-49-4) → 2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid amide (22876-18-2)

Guidance literature:

Multi-step reaction with 2 steps

1: ClSO₃H

2: aqueous NH₃

With chlorosulfonic acid; ammonium hydroxide;

DOI:10.1021/ja01848a513

Reference yield:

2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid amide (22876-18-2) → 4-amino-3-hydroxy-benzenesulfonic acid amide (3588-76-9)

Guidance literature:

upstream raw materials:

2-oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonyl chloride

2-Benzoxazolinone

Downstream raw materials:

3-methylbenzoxazolone-6-sulfonamide

4-amino-3-hydroxy-benzenesulfonic acid amide