2-(1-Oxopropyl)-1-(phenylsulfonyl)-1H-indole

Base Information

• Chemical Name: 2-(1-Oxopropyl)-1-(phenylsulfonyl)-1H-indole
• CAS No.: 121963-51-7
• Molecular Formula: C17H15 N O3 S
• Molecular Weight: 313.37
• DSSTox Substance ID: DTXSID10559998
• Wikidata: Q82442936
• Mol file: 121963-51-7.mol

Synonyms:121963-51-7;2-(1-Oxopropyl)-1-(phenylsulfonyl)-1H-indole;1-[1-(BENZENESULFONYL)INDOL-2-YL]PROPAN-1-ONE;1-(1-(Phenylsulfonyl)-1H-indol-2-yl)propan-1-one;1-[1-(Benzenesulfonyl)-1H-indol-2-yl]propan-1-one;DTXSID10559998;AKOS015961311;AB25017;AC-13619;1-(1-Benzenesulfonyl-1H-indol-2-yl)-propan-1-one

Chemical Property of 2-(1-Oxopropyl)-1-(phenylsulfonyl)-1H-indole

Chemical Property:

• Vapor Pressure: 7.86E-11mmHg at 25°C
• Refractive Index: 1.623
• Boiling Point: 517.9°Cat760mmHg
• Flash Point: 267°C
• PSA: 64.52000
• Density: 1.26g/cm³
• LogP: 4.55180
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 313.07726451
• Heavy Atom Count: 22
• Complexity: 505

Purity/Quality:

98%min ^*data from raw suppliers

2-(1-OXOPROPYL)-1-(PHENYLSULFONYL)-1H-INDOLE 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3

Technology Process of 2-(1-Oxopropyl)-1-(phenylsulfonyl)-1H-indole

There total 2 articles about 2-(1-Oxopropyl)-1-(phenylsulfonyl)-1H-indole 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: 70.0%

propionic acid anhydride (123-62-6) + 1-(phenylsulfonyl)-2-(trimethylsilyl)-1H-indole (115127-31-6) → 2-propionyl-1-(phenylsulfonyl)indole (121963-51-7)

Guidance literature:

With aluminium trichloride; In dichloromethane;

DOI:10.1021/jo00279a023

Reference yield:

1-benzenesulfonylindole (40899-71-6) → 2-propionyl-1-(phenylsulfonyl)indole (121963-51-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) lithium diisopropylamide / 1.) hexane, THF, -70 deg C, 1.5 h, 2.) from -75 deg C to RT, overnight

2: 70 percent / aluminum chloride / CH₂Cl₂

With aluminium trichloride; lithium diisopropyl amide; In dichloromethane;

DOI:10.1021/jo00279a023

Reference yield: 91.0%

2-propionyl-1-(phenylsulfonyl)indole (121963-51-7) → 1-Benzenesulfonyl-2-propyl-2,3-dihydro-1H-indole (127680-64-2)

Guidance literature:

With sodium cyanoborohydride; trifluoroacetic acid; 1.) 0 deg C, 2.) room temp.;

DOI:10.1016/S0040-4039(01)93364-7

upstream raw materials:

propionic acid anhydride

1-(phenylsulfonyl)-2-(trimethylsilyl)-1H-indole

1-benzenesulfonylindole

Downstream raw materials:

2-propyl-1-(phenylsulfonyl)indole

1-Benzenesulfonyl-2-propyl-2,3-dihydro-1H-indole

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