1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]-

Base Information

• Chemical Name: 1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]-
• CAS No.: 88115-31-5
• Molecular Formula: C17H14N2O2S
• Molecular Weight: 310.376
• DSSTox Substance ID: DTXSID00356695
• Wikidata: Q82136222

Synonyms:Oprea1_121423;Oprea1_763944;1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]-;DTXSID00356695;AKOS000670018;88115-31-5;SR-01000511059;SR-01000511059-1

Chemical Property of 1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]-

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 310.07759887
• Heavy Atom Count: 22
• Complexity: 537

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CC#N

Technology Process of 1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]-

There total 7 articles about 1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]- 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: 81.0%

3-(2,2-difluorovinyl)-1-tosyl-1H-indole → {1-[(4-methylphenyl)sulfonyl]-1H-indole-3-yl}acetonitrile (88115-31-5)

Guidance literature:

With ammonium hydroxide; In acetonitrile; at 60 ℃; for 24h; Schlenk technique;

Reference yield: 43.0%

2-cyano-2-(1-tosyl-1H-indol-3-yl)acetamide → {1-[(4-methylphenyl)sulfonyl]-1H-indole-3-yl}acetonitrile (88115-31-5)

Guidance literature:

With toluene-4-sulfonic acid; In ethanol; at 120 ℃; for 24h;

DOI:10.1039/d1cc02821a

Reference yield: 41.0%

2-(1-tosyl-1H-indol-3-yl)acetaldehyde → {1-[(4-methylphenyl)sulfonyl]-1H-indole-3-yl}acetonitrile (88115-31-5)

Guidance literature:

With ammonia; iodine; at 0 ℃; for 1h;

DOI:10.1002/ejoc.201700277

upstream raw materials:

indole-3-acetonitrile

p-toluenesulfonyl chloride

1-(4-tolylsulfonyl)indole-3-carboxaldehyde

Downstream raw materials:

1-[(1-p-toluenesulfonyl-1H-indol-3-yl)methyl]cyclopropylamine

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 88115-31-5 1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]-

Send

Send

Metric Ton KG G Pound L ML

Send

Send