6-Hydroxybenzo(b)thiophene-2-sulfonamide acetate ester

Base Information

• Chemical Name: 6-Hydroxybenzo(b)thiophene-2-sulfonamide acetate ester
• CAS No.: 96803-92-8
• Molecular Formula: C₁₀H₉NO₄S₂
• Molecular Weight: 271.318
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID60242520
• Nikkaji Number: J253.615C
• Wikidata: Q83126265
• Pharos Ligand ID: PK5J5AXRCH7Y
• ChEMBL ID: CHEMBL85636
• Mol file: 96803-92-8.mol

Synonyms:6-HTSAE;6-hydroxybenzo(b)thiophene-2-sulfonamide acetate ester

Chemical Property of 6-Hydroxybenzo(b)thiophene-2-sulfonamide acetate ester

Chemical Property:

• Vapor Pressure: 6.15E-10mmHg at 25°C
• Boiling Point: 495°C at 760 mmHg
• Flash Point: 253.1°C
• PSA: 123.08000
• Density: 1.51g/cm³
• LogP: 3.25510
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 270.99730012
• Heavy Atom Count: 17
• Complexity: 403

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC2=C(C=C1)C=C(S2)S(=O)(=O)N

Technology Process of 6-Hydroxybenzo(b)thiophene-2-sulfonamide acetate ester

There total 4 articles about 6-Hydroxybenzo(b)thiophene-2-sulfonamide acetate ester 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: 80.0%

6-hydroxybenzothiophene-2-sulfonamide (96803-89-3) + acetic anhydride (108-24-7) → 6-acetoxybenzothiophene-2-sulfonamide (96803-92-8)

Guidance literature:

With pyridine; In ethyl acetate; for 3h; Ambient temperature;

DOI:10.1021/jm00132a009

Reference yield:

3-methoxybenzenethiol (15570-12-4) → 6-acetoxybenzothiophene-2-sulfonamide (96803-92-8)

Guidance literature:

Multi-step reaction with 4 steps

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

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

4: 80 percent / pyridine / ethyl acetate / 3 h / Ambient temperature

With pyridine; pyridine hydrochloride; potassium carbonate; In ethyl acetate; acetone;

DOI:10.1021/jm00132a009

Reference yield:

1-[(2,2-diethoxyethyl)sulfanyl]-3-methoxybenzene (96803-85-9) → 6-acetoxybenzothiophene-2-sulfonamide (96803-92-8)

Guidance literature:

Multi-step reaction with 3 steps

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

3: 80 percent / pyridine / ethyl acetate / 3 h / Ambient temperature

With pyridine; pyridine hydrochloride; In ethyl acetate;

DOI:10.1021/jm00132a009

upstream raw materials:

6-hydroxybenzothiophene-2-sulfonamide

acetic anhydride

3-methoxybenzenethiol

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

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