7-Methoxyindole-3-acetonitrile

Base Information

• Chemical Name: 7-Methoxyindole-3-acetonitrile
• CAS No.: 2436-18-2
• Molecular Formula: C₁₁H₁₀N₂O
• Molecular Weight: 186.213
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20345400
• Wikidata: Q72490037
• ChEMBL ID: CHEMBL2377608
• Mol file: 2436-18-2.mol

Synonyms:7-Methoxyindole-3-acetonitrile;2436-18-2;2-(7-methoxy-1H-indol-3-yl)acetonitrile;MFCD04972088;3-Indoleacetonitrile, 7-methoxy-;CHEMBL2377608;SCHEMBL15904557;DTXSID20345400;AKOS005259013;(7-Methoxy-1H-indol-3-yl)acetonitrile #;CS-0256720;FT-0727398;M-3484;EN300-6512783;Z1198165195

Chemical Property of 7-Methoxyindole-3-acetonitrile

Chemical Property:

• Vapor Pressure: 7.09E-07mmHg at 25°C
• Refractive Index: 1.638
• Boiling Point: 408.3°C at 760 mmHg
• Flash Point: 200.7°C
• PSA: 48.81000
• Density: 1.224g/cm³
• LogP: 2.24258
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.079312947
• Heavy Atom Count: 14
• Complexity: 245

Purity/Quality:

98%Min ^*data from raw suppliers

7-Methoxyindole-3-acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC2=C1NC=C2CC#N

Technology Process of 7-Methoxyindole-3-acetonitrile

There total 5 articles about 7-Methoxyindole-3-acetonitrile 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: 39.0%

potassium cyanide + (7-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine (46388-50-5) → 2-(7-methoxy-1H-indol-3-yl)acetonitrile (2436-18-2)

Guidance literature:

With methyl iodide; In ethanol; water; at 20 ℃; for 16h;

DOI:10.1016/j.ejmech.2018.07.011

Reference yield: 39.0%

→ 2-(7-methoxy-1H-indol-3-yl)acetonitrile (2436-18-2)

Guidance literature:

With methyl iodide; In ethanol; water; at 20 ℃; for 16h;

Reference yield:

(7-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine (46388-50-5) + trimethylsilyl cyanide (7677-24-9) → 2-(7-methoxy-1H-indol-3-yl)acetonitrile (2436-18-2)

Guidance literature:

(7-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine; With methyl iodide; In dichloromethane; toluene; for 12h;

trimethylsilyl cyanide; With tetrabutyl ammonium fluoride; In tetrahydrofuran; for 4h;

DOI:10.1016/j.bmc.2015.12.042

upstream raw materials:

sodium cyanide

7-methoxy-1H-indole-3-carbaldehyde

7-methoxy-1H-indole

(7-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine