1-Oxo-2,3-dihydro-1H-indene-5-sulfonyl chloride

Base Information

• Chemical Name: 1-Oxo-2,3-dihydro-1H-indene-5-sulfonyl chloride
• CAS No.: 61565-36-4
• Molecular Formula: C9H7ClO3S
• Molecular Weight: 230.672
• European Community (EC) Number: 865-892-3
• DSSTox Substance ID: DTXSID60564350
• Nikkaji Number: J1.952.150H
• Wikidata: Q82449037

Synonyms:1-Oxo-2,3-dihydro-1H-indene-5-sulfonyl chloride;61565-36-4;1-OXO-2,3-DIHYDROINDENE-5-SULFONYL CHLORIDE;1-oxoindane-5-sulfonyl chloride;SCHEMBL8318207;DTXSID60564350;GS3122;MFCD09971459;AKOS009167257;AS-43811;CS-0311473;EN300-31329;1-Oxo-2,3-dihydro-1H-indene-5-sulfonylchloride

Chemical Property of 1-Oxo-2,3-dihydro-1H-indene-5-sulfonyl chloride

Chemical Property:

• PSA: 59.59000
• LogP: 2.82380
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 229.9804429
• Heavy Atom Count: 14
• Complexity: 344

Purity/Quality:

99% ^*data from raw suppliers

1-Oxo-2,3-dihydro-1H-indene-5-sulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C2=C1C=C(C=C2)S(=O)(=O)Cl

Technology Process of 1-Oxo-2,3-dihydro-1H-indene-5-sulfonyl chloride

There total 5 articles about 1-Oxo-2,3-dihydro-1H-indene-5-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: 18.0%

5-aminoindan-1-one (3470-54-0) → 5-chlorosulphonyl-1-indanone (61565-36-4)

Guidance literature:

With chlorosulfonic acid; at 25 ℃; for 16.3333h;

DOI:10.1021/acs.jmedchem.1c01436

Reference yield:

5-(benzylthio)-2,3-dihydro-1H-inden-1-one (132630-11-6) → 5-chlorosulphonyl-1-indanone (61565-36-4)

Guidance literature:

With N-chloro-succinimide; water; acetic acid; at 10 ℃; for 1h;

Reference yield:

5-(benzylthio)-2,3-dihydro-1H-inden-1-one (132630-11-6) → 5-chlorosulphonyl-1-indanone (61565-36-4) + 2-Chloro-1-oxo-indan-5-sulfonyl chloride

Guidance literature:

With water; chlorine; In dichloromethane; acetic acid; at -5 ℃; Title compound not separated from byproducts;

upstream raw materials:

5-(benzylthio)-2,3-dihydro-1H-inden-1-one

5-Bromo-1-indanone

5-aminoindan-1-one

Downstream raw materials:

inden-1-one

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