7-hydroxy-2H-1,4-benzothiazin-3(4H)-one

Base Information

• Chemical Name: 7-hydroxy-2H-1,4-benzothiazin-3(4H)-one
• CAS No.: 91375-75-6
• Molecular Formula: C8H7 N O2 S
• Molecular Weight: 181.215
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20356152
• Nikkaji Number: J2.923.162A
• Wikidata: Q82135356
• Metabolomics Workbench ID: 112993
• ChEMBL ID: CHEMBL5180307
• Mol file: 91375-75-6.mol

Synonyms:91375-75-6;7-hydroxy-2H-1,4-benzothiazin-3(4H)-one;7-HYDROXY-4H-BENZO[1,4]THIAZIN-3-ONE;7-hydroxy-2H-benzo[b][1,4]thiazin-3(4H)-one;7-hydroxy-4H-1,4-benzothiazin-3-one;CHEMBL5180307;7-Hydroxy-2H-1,4-benzothiazine-3(4H)-one;7-hydroxy-3,4-dihydro-2H-1,4-benzothiazin-3-one;SCHEMBL6015836;DTXSID20356152;GJRKJMSYGXBCNU-UHFFFAOYSA-N;BDBM50601987;AKOS006280092;CS-0099613;AN-829/25042019

Chemical Property of 7-hydroxy-2H-1,4-benzothiazin-3(4H)-one

Chemical Property:

• Vapor Pressure: 1.21E-08mmHg at 25°C
• Boiling Point: 448.1°C at 760 mmHg
• Flash Point: 224.8°C
• PSA: 74.63000
• Density: 1.43g/cm³
• LogP: 1.57440
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 181.01974964
• Heavy Atom Count: 12
• Complexity: 198

Purity/Quality:

95% ^*data from raw suppliers

7-HYDROXY-4H-BENZO(1,4)THIAZIN-3-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)NC2=C(S1)C=C(C=C2)O

Technology Process of 7-hydroxy-2H-1,4-benzothiazin-3(4H)-one

There total 7 articles about 7-hydroxy-2H-1,4-benzothiazin-3(4H)-one 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%

7-methoxy-2H-benzo[b][1,4]thiazin-3(4H)-one (22726-30-3) → 7-hydroxy-3,4-dihydro-3-oxo-2H(1,4)benzothiazine (91375-75-6)

Guidance literature:

With boron tribromide; In dichloromethane; at 0 - 20 ℃; for 3h;

DOI:10.1248/cpb.58.326

Reference yield: 49.7%

7-Amino-3,4-dihydro-2H-<1,4>benzothiazin-3-one (21762-79-8) → 7-hydroxy-3,4-dihydro-3-oxo-2H(1,4)benzothiazine (91375-75-6)

Guidance literature:

With sulfuric acid; sodium nitrite; In water; acetic acid; for 1h; Ambient temperature;

Reference yield:

NaNO2 (dissolved in the minimum quantity of water) + 7-Amino-3,4-dihydro-2H-<1,4>benzothiazin-3-one (21762-79-8) + sulfuric acid (7664-93-9) → 7-hydroxy-3,4-dihydro-3-oxo-2H(1,4)benzothiazine (91375-75-6)

Guidance literature:

With acetic acid; urea; In water;

upstream raw materials:

7-Amino-3,4-dihydro-2H-<1,4>benzothiazin-3-one

7-methoxy-2H-benzo[b][1,4]thiazin-3(4H)-one

2,3-Dihydro-benzo[1,4]thiazin-7-one

2-amino-5-methoxy-thiophenol

Downstream raw materials:

7-(2-fluoro-benzyloxy)-2H-benzo[b][1,4]thiazin-3(4H)-one

7-ethoxy-2H-benzo[b][1,4]thiazin-3(4H)-one

7-(3,4-methoxy-benzyloxy)-2H-benzo[b][1,4]thiazin-3(4H)-one

7-(benzyloxy)-2H-benzo[b][1,4]thiazin-3(4H)-one