N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzenesulfinamide

Base Information

• Chemical Name: N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzenesulfinamide
• CAS No.: 288158-92-9
• Molecular Formula: C₁₇H₁₈N₂OS
• Molecular Weight: 298.409
• European Community (EC) Number: 694-824-3
• Nikkaji Number: J1.374.373H
• Mol file: 288158-92-9.mol

Synonyms:N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzenesulfinamide;Benzenesulfinamide, N-[2-(1H-indol-3-yl)ethyl]-4-methyl-, [S(S)]-;288159-11-5;N-(2-(1H-Indol-3-yl)ethyl)-4-methylbenzenesulfinamide;FT-0770461;N-[2-(1H-Indole-3-yl)ethyl]-4-methylbenzenesulfinamide;288158-92-9

Chemical Property of N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzenesulfinamide

Chemical Property:

• Melting Point: 110-114?°C(lit.)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 298.11398438
• Heavy Atom Count: 21
• Complexity: 355

Purity/Quality:

R-N-PARA-TOLYLSULFINYLTRYPTAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)NCCC2=CNC3=CC=CC=C32

Technology Process of N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzenesulfinamide

There total 1 articles about N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzenesulfinamide 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: 75.0%

4-methylbenzenesulfinyl chloride (10439-23-3) + tryptamine (61-54-1) → N-p-tolylsulfinyl tryptamine (288158-92-9)

Guidance literature:

With potassium carbonate; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1021/ol006034t

Reference yield: 84.0%

pentanal (110-62-3) + N-p-tolylsulfinyl tryptamine (288158-92-9) → 1-butyl-2-(toluene-4-sulfinyl)-2,3,4,9-tetrahydro-1H-β-carboline

Guidance literature:

With camphor-10-sulfonic acid; In dichloromethane; chloroform; at -78 ℃; for 4.5h;

DOI:10.1021/ol006034t

Reference yield: 84.0%

5,5-diethoxypentanal (79893-96-2) + N-p-tolylsulfinyl tryptamine (288158-92-9) → 1-(4,4-diethoxy-butyl)-2-(toluene-4-sulfinyl)-2,3,4,9-tetrahydro-1H-β-carboline

Guidance literature:

With camphor-10-sulfonic acid; In dichloromethane; chloroform; at -78 ℃; for 5h;

DOI:10.1021/ol006034t

upstream raw materials:

4-methylbenzenesulfinyl chloride

tryptamine