1-Acetylindoline-5-sulfonamide

Base Information

• Chemical Name: 1-Acetylindoline-5-sulfonamide
• CAS No.: 3264-38-8
• Molecular Formula: C₁₀H₁₂N₂O₃S
• Molecular Weight: 240.283
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID10355518
• Wikidata: Q82134473
• Mol file: 3264-38-8.mol

Synonyms:1-acetylindoline-5-sulfonamide;3264-38-8;1-acetyl-5-indolinesulfonamide;1-acetyl-2,3-dihydroindole-5-sulfonamide;1-acetyl-2,3-dihydro-1H-indole-5-sulfonamide;1-Acetylindoline-5-sulphonamide;Cambridge id 7038170;Oprea1_299769;SCHEMBL14058862;DTXSID10355518;CIIBOYDDEVWHOY-UHFFFAOYSA-N;GEO-03224;MFCD01235910;STK057953;AKOS000138584;GA-0810;SB64140;CS-0272185;FT-0681043;EN300-27014;AO-080/43342502;SR-01000250197;J-504163;SR-01000250197-1

Chemical Property of 1-Acetylindoline-5-sulfonamide

Chemical Property:

• Vapor Pressure: 8.8E-13mmHg at 25°C
• Melting Point: 225-227 °C
• Refractive Index: 1.62
• Boiling Point: 564.9 °Cat760mmHg
• Flash Point: 295.4 °C
• PSA: 88.85000
• Density: 1.415 g/cm³
• LogP: 2.08910
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 240.05686342
• Heavy Atom Count: 16
• Complexity: 387

Purity/Quality:

98%min ^*data from raw suppliers

1-Acetylindoline-5-sulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N

Technology Process of 1-Acetylindoline-5-sulfonamide

There total 3 articles about 1-Acetylindoline-5-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: 97.0%

1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl chloride (52206-05-0) → 1-acetyl-2,3-dihydro-indole-5-sulfonic acid amide (3264-38-8)

Guidance literature:

With ammonia; triethylamine; In 1,4-dioxane; dichloromethane; at 20 ℃; for 3h; Inert atmosphere;

Reference yield:

ammonium hydroxide (1336-21-6) + 1-Acetyl-2,3-dihydro-1H-indole (16078-30-1) → 1-acetyl-2,3-dihydro-indole-5-sulfonic acid amide (3264-38-8)

Guidance literature:

With chlorosulfonic acid; In tetrahydrofuran; dichloromethane; water; acetone;

Reference yield:

→ 1-acetyl-2,3-dihydro-indole-5-sulfonic acid amide (3264-38-8)

Guidance literature:

5-Sulfochlorid-1-acetyl-indolin, NH4CO3 (2h, W-bad);

upstream raw materials:

ammonium hydroxide

1-Acetyl-2,3-dihydro-1H-indole

1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl chloride

Downstream raw materials:

1H-indole-5-sulfonamide

indoline-5-sulfonamide

1-(cyclohexanecarbonyl)indoline-5-sulfonamide

1-(2-(3,4-dichlorophenyl)acetyl)indoline-5-sulfonamide

Refernces

• 1、 -. "Indole-sulfonamides as antitumor agents". . . Retrieved 2008/06/13.