1-Acetylindoline-6-sulfonyl chloride

Base Information

• Chemical Name: 1-Acetylindoline-6-sulfonyl chloride
• CAS No.: 313690-18-5
• Molecular Formula: C₁₀H₁₀ClNO₃S
• Molecular Weight: 259.713
• European Community (EC) Number: 851-207-5
• Mol file: 313690-18-5.mol

Synonyms:313690-18-5;1-ACETYLINDOLINE-6-SULFONYL CHLORIDE;1-acetyl-2,3-dihydro-1H-indole-6-sulfonyl chloride;1-acetyl-2,3-dihydroindole-6-sulfonyl Chloride;1-ACETYLINDOLINE-6-SULFONYLCHLORIDE;SCHEMBL1807646;FTWAILLGJAETPR-UHFFFAOYSA-N;GS3089;MFCD18838573;N-acetylindoline-6-sulphonyl chloride;1-Acetylindoline-6-sulfonyl chloride?;AKOS017258522;AS-6363;SB64213;CS-0055931;EN300-75928

Chemical Property of 1-Acetylindoline-6-sulfonyl chloride

Chemical Property:

• Boiling Point: 485.1±45.0 °C(Predicted)
• PKA: -2.89±0.20(Predicted)
• PSA: 62.83000
• Density: 1.463±0.06 g/cm3(Predicted)
• LogP: 2.66890
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 259.0069920
• Heavy Atom Count: 16
• Complexity: 389

Purity/Quality:

97% ^*data from raw suppliers

1-Acetyl-2,3-dihydro-1H-indole-6-sulfonyl chloride 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Acetylindoline-6-sulfonyl chloride

There total 4 articles about 1-Acetylindoline-6-sulfonyl chloride 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:

1-acetyl-2,3-dihydro-1H-indole-6-sulfonic acid → 1-acetyl-2,3-dihydro-1H-indole-6-sulfonylchloride (313690-18-5)

Guidance literature:

With trichlorophosphate; N,N-dimethyl-formamide; In acetonitrile; for 1h; Reflux;

Reference yield:

1-indoline (496-15-1) → 1-acetyl-2,3-dihydro-1H-indole-6-sulfonylchloride (313690-18-5)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂SO₄, 27-33percent SO₃

2: 84 percent / acetic acid / 24 h / Ambient temperature

3: POCl₃, DMF / acetonitrile / 1 h / Heating

With sulfuric acid; sulfur trioxide; N,N-dimethyl-formamide; trichlorophosphate; In acetic acid; acetonitrile;

DOI:10.1021/jo00090a050

Reference yield:

Indoline-6-sulfonic acid (80279-71-6) → 1-acetyl-2,3-dihydro-1H-indole-6-sulfonylchloride (313690-18-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / acetic acid / 24 h / Ambient temperature

2: POCl₃, DMF / acetonitrile / 1 h / Heating

With N,N-dimethyl-formamide; trichlorophosphate; In acetic acid; acetonitrile;

DOI:10.1021/jo00090a050

upstream raw materials:

1-indoline

Indoline-6-sulfonic acid

Downstream raw materials:

C₁₈H₁₈N₂O₄S

2-[3,6-Bis-(6-dimethylsulfamoyl-2,3-dihydro-indol-1-yl)-9H-xanthen-9-yl]-benzenesulfonyl chloride

2-[3,6-Bis-(6-dimethylsulfamoyl-2,3-dihydro-indol-1-yl)-9H-xanthen-9-yl]-benzenesulfonic acid