2,3-Dimethylindole-1-propanenitrile

Base Information

• Chemical Name: 2,3-Dimethylindole-1-propanenitrile
• CAS No.: 26019-47-6
• Molecular Formula: C13H14N2
• Molecular Weight: 198.26400
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00400304
• Wikidata: Q82203206
• ChEMBL ID: CHEMBL1477339
• Mol file: 26019-47-6.mol

Synonyms:26019-47-6;3-(2,3-dimethyl-1H-indol-1-yl)propanenitrile;2,3-Dimethylindole-1-propanenitrile;3-(2,3-dimethylindol-1-yl)propanenitrile;2,3-Dimethyl-1H-indole-1-propanenitrile;MLS000700103;SMR000224753;EC-000.1722;CHEMBL1477339;SCHEMBL21431750;BDBM45573;cid_4175802;DTXSID00400304;HMS2534H03;AKOS006273691;3-(2,3-dimethylindol-1-yl)propionitrile;3-(2,3-dimethyl-1-indolyl)propanenitrile;3-(2,3-Dimethyl-indol-1-yl)-propionitrile;AE-496/11121006

Chemical Property of 2,3-Dimethylindole-1-propanenitrile

Chemical Property:

• Vapor Pressure: 1.84E-06mmHg at 25°C
• Boiling Point: 395.4oC at 760 mmHg
• Flash Point: 192.9oC
• PSA: 28.72000
• Density: 1.03g/cm3
• LogP: 3.17178
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 198.115698455
• Heavy Atom Count: 15
• Complexity: 265

Purity/Quality:

99% ^*data from raw suppliers

3-(2,3-DIMETHYL-1H-INDOL-1-YL)PROPANENITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N(C2=CC=CC=C12)CCC#N)C

Technology Process of 2,3-Dimethylindole-1-propanenitrile

There total 2 articles about 2,3-Dimethylindole-1-propanenitrile 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: 63.0%

2,3-dimethylindole (91-55-4) + acrylonitrile (107-13-1,25014-41-9) → 2,3-Dimethyl-1H-indol-1-propannitril (26019-47-6)

Guidance literature:

With benzyltrismethylammonium methoxide; hydroquinone; In 1,4-dioxane; methanol;

DOI:10.1002/ardp.19823151103

Reference yield: 40.0%

→ 2,3-Dimethyl-1H-indol-1-propannitril (26019-47-6)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 0.75h;

In N,N-dimethyl-formamide; at 20 ℃; for 6h;

Reference yield: 89.0%

2,3-Dimethyl-1H-indol-1-propannitril (26019-47-6) → 2,3-Dimethyl-1H-indol-propansaeure (40313-28-8)

Guidance literature:

With sodium hydroxide; for 3h; Heating;

DOI:10.1002/ardp.19823151103

upstream raw materials:

2,3-dimethylindole

acrylonitrile

Downstream raw materials:

2,3-Dimethyl-1H-indol-propansaeure