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

Base Information

• Chemical Name: 1-Propionyl-2,3-dihydro-1H-indole-5-sulfonyl chloride
• CAS No.: 868963-99-9
• Molecular Formula: C₁₁H₁₂ClNO₃S
• Molecular Weight: 273.74
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60586456
• Wikidata: Q82478598
• Mol file: 868963-99-9.mol

Synonyms:868963-99-9;1-Propionyl-2,3-dihydro-1H-indole-5-sulfonyl chloride;1-Propionylindoline-5-sulfonyl chloride;1-propanoyl-2,3-dihydroindole-5-sulfonyl chloride;DTXSID60586456;GS3142;1-Propionylindoline-5-sulfonylchloride;AKOS000301878;MCULE-2853580489;SB65401;DB-363768;A916879;1-Propanoyl-2,3-dihydro-1H-indole-5-sulfonyl chloride

Chemical Property of 1-Propionyl-2,3-dihydro-1H-indole-5-sulfonyl chloride

Chemical Property:

• Boiling Point: 501.9±50.0 °C(Predicted)
• PKA: -3.49±0.20(Predicted)
• PSA: 62.83000
• Density: 1.411±0.06 g/cm3(Predicted)
• LogP: 3.05900
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 273.0226421
• Heavy Atom Count: 17
• Complexity: 403

Purity/Quality:

97% ^*data from raw suppliers

1-Propionyl-2,3-dihydro-1H-indole-5-sulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Propionyl-2,3-dihydro-1H-indole-5-sulfonyl chloride

There total 2 articles about 1-Propionyl-2,3-dihydro-1H-indole-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:

1-indoline (496-15-1) → C11H12ClNO3S (868963-99-9)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / N,N-dimethyl-formamide / 0 - 20 °C

2: chlorosulfonic acid; phosphorus pentachloride / 0 - 80 °C

With pyridine; chlorosulfonic acid; phosphorus pentachloride; In N,N-dimethyl-formamide;

DOI:10.1021/ml200158b

Reference yield:

1-(indolin-1-yl)propan-1-one (56857-92-2) → C11H12ClNO3S (868963-99-9)

Guidance literature:

With chlorosulfonic acid; phosphorus pentachloride; at 0 - 80 ℃;

DOI:10.1021/ml200158b

Reference yield:

4-(4-chlorophenyl) piperazine (38212-33-8) + C11H12ClNO3S (868963-99-9) → 1-(5-((4-(4-chlorophenyl)piperazin-1-yl)sulfonyl)indolin-1-yl)propan-1-one (901243-06-9)

Guidance literature:

With triethylamine; In 1,4-dioxane; at 20 - 60 ℃;

DOI:10.1021/ml200158b

upstream raw materials:

1-indoline

1-(indolin-1-yl)propan-1-one

Downstream raw materials:

1-(5-((4-(4-chlorophenyl)piperazin-1-yl)sulfonyl)indolin-1-yl)propan-1-one

4-(4-((1-propionylindolin-5-yl)sulfonyl)piperazin-1-yl)benzonitrile

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