6-Hydroxybenzo[b]thiophene-2-sulfonamide

Base Information

• Chemical Name: 6-Hydroxybenzo[b]thiophene-2-sulfonamide
• CAS No.: 96803-89-3
• Molecular Formula: C₈H₇NO₃S₂
• Molecular Weight: 229.28
• UNII: 1701W6XC9T
• DSSTox Substance ID: DTXSID50242519
• Nikkaji Number: J253.610B
• Wikidata: Q83126263
• Pharos Ligand ID: 9B24655UD57K
• ChEMBL ID: CHEMBL314803

Synonyms:6-HTS;6-hydroxybenzo(b)thiophene-2--sulfonamide;L 650719;L-650719

Chemical Property of 6-Hydroxybenzo[b]thiophene-2-sulfonamide

Chemical Property:

• Vapor Pressure: 4.44E-11mmHg at 25°C
• Boiling Point: 511.4°Cat760mmHg
• Flash Point: 263.1°C
• Density: 1.632g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 228.98673543
• Heavy Atom Count: 14
• Complexity: 311

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C=C1O)SC(=C2)S(=O)(=O)N

Technology Process of 6-Hydroxybenzo[b]thiophene-2-sulfonamide

There total 3 articles about 6-Hydroxybenzo[b]thiophene-2-sulfonamide 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:

6-methoxybenzothiophene-2-sulfonamide (96803-87-1) → 6-hydroxybenzothiophene-2-sulfonamide (96803-89-3)

Guidance literature:

With pyridine hydrochloride; at 190 - 200 ℃; for 2.5h;

DOI:10.1021/jm00132a009

Reference yield:

3-methoxybenzenethiol (15570-12-4) → 6-hydroxybenzothiophene-2-sulfonamide (96803-89-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 27.4 g / K₂CO₃ / acetone / 16 h / Ambient temperature

3: 29.7 g / pyridine hydrochloride / 2.5 h / 190 - 200 °C

With pyridine hydrochloride; potassium carbonate; In acetone;

DOI:10.1021/jm00132a009

Reference yield:

1-[(2,2-diethoxyethyl)sulfanyl]-3-methoxybenzene (96803-85-9) → 6-hydroxybenzothiophene-2-sulfonamide (96803-89-3)

Guidance literature:

Multi-step reaction with 2 steps

2: 29.7 g / pyridine hydrochloride / 2.5 h / 190 - 200 °C

With pyridine hydrochloride;

DOI:10.1021/jm00132a009

upstream raw materials:

6-methoxybenzothiophene-2-sulfonamide

3-methoxybenzenethiol

1-[(2,2-diethoxyethyl)sulfanyl]-3-methoxybenzene

Downstream raw materials:

6-acetoxybenzothiophene-2-sulfonamide

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