3-benzyl-1H-indole-5-carbonitrile

Base Information

• Chemical Name: 3-benzyl-1H-indole-5-carbonitrile
• CAS No.: 17380-31-3
• Molecular Formula: C16H12N2
• Molecular Weight: 232.285
• DSSTox Substance ID: DTXSID00169666
• Nikkaji Number: J62.653H
• Wikidata: Q83039376
• Mol file: 17380-31-3.mol

Synonyms:3-benzyl-1H-indole-5-carbonitrile;17380-31-3;3-Benzyl-5-cyanoindole;INDOLE-5-CARBONITRILE, 3-BENZYL-;3-Benzylindole-5-carbonitrile;SCHEMBL5899817;DTXSID00169666;LS-82434

Chemical Property of 3-benzyl-1H-indole-5-carbonitrile

Chemical Property:

• Vapor Pressure: 2.15E-08mmHg at 25°C
• Boiling Point: 452.9°Cat760mmHg
• Flash Point: 145.4°C
• PSA: 39.58000
• Density: 1.22g/cm³
• LogP: 3.63038
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 232.100048391
• Heavy Atom Count: 18
• Complexity: 323

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=CNC3=C2C=C(C=C3)C#N

Technology Process of 3-benzyl-1H-indole-5-carbonitrile

There total 3 articles about 3-benzyl-1H-indole-5-carbonitrile 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: 60.0%

1H-indole-5-carbonitrile (15861-24-2,142396-06-3) + benzyl alcohol (100-51-6,185532-71-2) → 3-benzyl-1H-indole-5-carbonitrile (17380-31-3)

Guidance literature:

With potassium hydroxide; bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; at 110 ℃; for 48h;

DOI:10.1021/ol071274v

Reference yield: 58.0%

3-(hydroxyphenylmethyl)indole-5-carbonitrile (787631-74-7) → 3-benzyl-1H-indole-5-carbonitrile (17380-31-3)

Guidance literature:

With triethylsilane; trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h; pH=9 - 10;

Reference yield:

1H-indole-5-carbonitrile (15861-24-2,142396-06-3) + benzyl bromide (100-39-0) → 3-benzyl-1H-indole-5-carbonitrile (17380-31-3) + 2-benzyl-1H-indole-5-carbonitrile (179748-04-0)

Guidance literature:

In water; at 150 ℃; for 0.133333h; regioselective reaction; Microwave irradiation;

DOI:10.1002/ejoc.200901333

upstream raw materials:

1H-indole-5-carbonitrile

benzyl alcohol

3-(hydroxyphenylmethyl)indole-5-carbonitrile

benzyl bromide

Downstream raw materials:

C₂₈H₂₅BrN₂O₂

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 17380-31-3 3-benzyl-1H-indole-5-carbonitrile

Send

Send

Metric Ton KG G Pound L ML

Send

Send