3-(CYANOACETYL)-1-METHYLINDOLE

Base Information

• Chemical Name: 3-(CYANOACETYL)-1-METHYLINDOLE
• CAS No.: 343778-74-5
• Molecular Formula: C12H10N2O
• Molecular Weight: 198.224
• Hs Code.: 2933990090
• Mol file: 343778-74-5.mol

Synonyms:3-(Cyanoacetyl)-1-methylindole;

Chemical Property of 3-(CYANOACETYL)-1-METHYLINDOLE

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.602
• Boiling Point: 423.538 °C at 760 mmHg
• Flash Point: 209.949 °C
• PSA: 45.79000
• Density: 1.148 g/cm³
• LogP: 2.27468

Purity/Quality:

98%Min ^*data from raw suppliers

3-(1-methyl-1H-indol-3-yl)-3-oxopropanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(CYANOACETYL)-1-METHYLINDOLE

There total 3 articles about 3-(CYANOACETYL)-1-METHYLINDOLE 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: 90.0%

1-methylindole (603-76-9) + cyanoacetic acid (372-09-8) → 3-(1-methyl-1H-indol-3-yl)-3-oxopropanenitrile (343778-74-5)

Guidance literature:

With acetic anhydride; at 85 ℃; for 0.0833333h;

DOI:10.1055/s-2004-831164

Reference yield: 85.0%

3-(1H-indol-3-yl)-3-oxo-propionitrile (20356-45-0) + dimethyl sulfate (77-78-1) → 3-(1-methyl-1H-indol-3-yl)-3-oxopropanenitrile (343778-74-5)

Guidance literature:

With tetrabutylammomium bromide; potassium carbonate; In acetonitrile; at 20 ℃; for 2h;

DOI:10.2174/1570180816666191024103534

Reference yield:

indole (120-72-9) → 3-(1-methyl-1H-indol-3-yl)-3-oxopropanenitrile (343778-74-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate

2: acetic anhydride / 50 - 85 °C

With acetic anhydride; potassium carbonate; 2: |Friedel-Crafts Acylation;

DOI:10.1016/j.bmcl.2014.03.011

upstream raw materials:

1-methylindole

cyanoacetic acid

indole

3-(1H-indol-3-yl)-3-oxo-propionitrile

Downstream raw materials:

2-(1-methyl-1H-indole-3-carbonyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile

3-(2-hydroxyphenyl)-2-(1-methyl-1H-indole-3-carbonyl)acrylonitrile

2-(2-cyano-3-(1-methyl-1H-indol-3-yl)-3-oxoprop-1-enyl)benzonitrile

Refernces

• 1、 Al-Sehemi, Abdullah G.,Elango, Kuppanagounder P.,Nandhini, C.,Pannipara, Mehboobali,Saravana Kumar, P.,Shanmugapriya, R.,Vennila, K. N.. "A combination of experimental and TD-DFT investigations on the fluorescent detection of sulfite and bisulfite ions in aqueous solution via nucleophilic addition reaction". . . Retrieved 2021/11/30.
• 2、 Adepu, Raju,Dhanaji, Jadhav Rahul,Samatha, Polasani,Mainkar, Prathama S.,Chandrasekhar, Srivari. "Synthesis of 2-Amino-2′-hydroxy-1,1′-biaryls via Cascade Benzannulation and C-N Bond Cleavage Sequence". supporting information. p. 8224 - 8228. Retrieved 2020/11/18.