2-[(Benzenesulfonyl)methyl]-1H-indole

Base Information

• Chemical Name: 2-[(Benzenesulfonyl)methyl]-1H-indole
• CAS No.: 107081-91-4
• Molecular Formula: C15H13NO2S
• Molecular Weight: 271.34
• DSSTox Substance ID: DTXSID00549040
• Nikkaji Number: J2.758.675I
• Wikidata: Q82427913
• Mol file: 107081-91-4.mol

Synonyms:107081-91-4;2-[(Benzenesulfonyl)methyl]-1H-indole;DTXSID00549040

Chemical Property of 2-[(Benzenesulfonyl)methyl]-1H-indole

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 271.06669983
• Heavy Atom Count: 19
• Complexity: 395

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)CC2=CC3=CC=CC=C3N2

Technology Process of 2-[(Benzenesulfonyl)methyl]-1H-indole

There total 11 articles about 2-[(Benzenesulfonyl)methyl]-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: 95.0%

(S)-tert-butyl 1-oxo-1-(2-(phenylsulfonymethyl)-1H-indol-1-yl)propan-2-ylcarbamate (1193109-91-9) → 2-<(phenylsulfonyl)methyl>-indole (107081-91-4)

Guidance literature:

With triethylamine; In chloroform; at 50 ℃; for 24h;

DOI:10.1016/j.tetlet.2009.08.001

Reference yield: 57.0%

phenylsulfonylpropa-1,2-diene (2525-42-0) + C,N-diphenylnitrone (201024-81-9) → 2-<(phenylsulfonyl)methyl>-indole (107081-91-4) + 1,2,3,5-tetrahydro-2-phenyl-3-(phenylsulfonyl)-4H-1-benzazepin-4-one (118171-17-8) + 1,5-diphenyl-4-(phenylsulfonyl)pyrrolidin-3-one (118171-18-9)

Guidance literature:

In tetrachloromethane; for 6h; Product distribution; Mechanism; Ambient temperature; other allenes, other N-phenylnitrones;

DOI:10.1021/jo00265a018

Reference yield: 36.0%

phenylsulfonylpropa-1,2-diene (2525-42-0) + (Z)-N-benzylideneaniline oxide (1137-96-8,26505-49-7,201024-81-9) → 2-<(phenylsulfonyl)methyl>-indole (107081-91-4) + benzaldehyde (100-52-7) + 4-oxo-2-phenyl-3-(phenylsulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepine (107081-89-0) + 1,5-diphenyl-3-oxo-4-(phenylsulfonyl)-2,3,4,5-tetrahydropyrrole (107081-90-3)

Guidance literature:

In chloroform; at 0 ℃; for 16h; Mechanism; other (phenylsulfonyl)alkynes;

DOI:10.1021/jo00384a007

upstream raw materials:

phenylsulfonylpropa-1,2-diene

C,N-diphenylnitrone

(Z)-N-benzylideneaniline oxide

1-hydroxy-2-<(phenylsulfonyl)methyl>indole

Downstream raw materials:

3-acetyl-2-<(phenylsulfonyl)methyl>indole

2-<2-phenyl-1-(phenylsulfonyl)ethenyl>indole

1-methyl-2-<(phenylsulfonyl)methyl>indole

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