1H-Indole, 1-(phenylsulfonyl)-3-(2-propenyl)-

Base Information

• Chemical Name: 1H-Indole, 1-(phenylsulfonyl)-3-(2-propenyl)-
• CAS No.: 167172-14-7
• Molecular Formula: C17H15NO2S
• Molecular Weight: 297.378
• DSSTox Substance ID: DTXSID80435790
• Nikkaji Number: J656.655C
• Wikidata: Q82250895
• Mol file: 167172-14-7.mol

Synonyms:1H-Indole, 1-(phenylsulfonyl)-3-(2-propenyl)-;167172-14-7;DTXSID80435790;1-Phenylsulfonyl-3-allyl-1H-indole

Chemical Property of 1H-Indole, 1-(phenylsulfonyl)-3-(2-propenyl)-

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 297.08234989
• Heavy Atom Count: 21
• Complexity: 462

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3

Technology Process of 1H-Indole, 1-(phenylsulfonyl)-3-(2-propenyl)-

There total 1 articles about 1H-Indole, 1-(phenylsulfonyl)-3-(2-propenyl)- 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%

3-iodo-1-phenylsulfonyl-1H-indole (80360-14-1) + allyl bromide (106-95-6) → 3-allyl-1-(phenylsulfonyl)indole (167172-14-7)

Guidance literature:

3-iodo-1-phenylsulfonyl-1H-indole; With diisopropyl zinc; lithium pentane-2,4-dionate; In 1-methyl-pyrrolidin-2-one; at 20 ℃; for 12h;

allyl bromide; In tetrahydrofuran; at 20 ℃;

DOI:10.1055/s-2004-837206

Reference yield: 60.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 3-allyl-1-(phenylsulfonyl)indole (167172-14-7) → 3-allyl-1-benzenesulfonyl-1H-indole-2-carbaldehyde (752212-08-1)

Guidance literature:

With tert.-butyl lithium; In tetrahydrofuran; at -78 - 20 ℃;

DOI:10.1016/j.tetlet.2004.06.097

Reference yield: 50.0%

acetic anhydride (108-24-7) + 3-allyl-1-(phenylsulfonyl)indole (167172-14-7) → C19H17NO3S

Guidance literature:

With sec.-butyllithium; In tetrahydrofuran; at -70 ℃; for 20h;

DOI:10.1002/ejoc.201101718

upstream raw materials:

3-iodo-1-phenylsulfonyl-1H-indole

allyl bromide

Downstream raw materials:

3-allyl-1-benzenesulfonyl-1H-indole-2-carbaldehyde

1-(3-allyl-1-benzenesulfonyl-1H-indol-2-yl)-but-3-en-1-ol

1-(benzenesulfonyl)-3-methyl-2-[(R)-2-methyl-4-phenyl-1,3-oxazolidin-2-yl]indole

2-acetyl-3-methyl-1-(phenylsulfonyl)indole