2-(5-Methyl-1H-indol-3-yl)acetonitrile

Base Information

• Chemical Name: 2-(5-Methyl-1H-indol-3-yl)acetonitrile
• CAS No.: 65881-14-3
• Molecular Formula: C11H10N2
• Molecular Weight: 170.21000
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20489131
• Wikidata: Q82332228
• Mol file: 65881-14-3.mol

Synonyms:2-(5-Methyl-1H-indol-3-yl)acetonitrile;65881-14-3;5-METHYLINDOLE-3-ACETONITRILE;SCHEMBL14970013;DTXSID20489131;AKOS012864767;(5-Methyl-1H-indol-3-yl)acetonitrile

Chemical Property of 2-(5-Methyl-1H-indol-3-yl)acetonitrile

Chemical Property:

• PSA: 39.58000
• LogP: 2.54238
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 170.084398327
• Heavy Atom Count: 13
• Complexity: 228

Purity/Quality:

98% ^*data from raw suppliers

2-(5-Methyl-1H-indol-3-yl)acetonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)NC=C2CC#N

Technology Process of 2-(5-Methyl-1H-indol-3-yl)acetonitrile

There total 5 articles about 2-(5-Methyl-1H-indol-3-yl)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: 75.0%

5-methyl-1H-indole (614-96-0) + 2-aminoacetonitrile hydrochloride (6011-14-9) → 2-(5-methyl-1H-indol-3-yl)acetonitrile (65881-14-3)

Guidance literature:

2-aminoacetonitrile hydrochloride; With sodium nitrite; In water; at 55 ℃;

5-methyl-1H-indole; With meso-tetraphenylporphyrin iron(III) chloride; In dichloromethane; water; at 20 ℃; for 2.33h; Inert atmosphere;

DOI:10.1002/anie.201813631

Reference yield:

sodium cyanide (773837-37-9) + 5-methyl-1H-indole (614-96-0) + methyl iodide (74-88-4) → 2-(5-methyl-1H-indol-3-yl)acetonitrile (65881-14-3)

Guidance literature:

5-methyl-1H-indole; With eschenmoser's salt; acetic acid; In acetonitrile; at 20 ℃; for 4h;

methyl iodide; In ethanol; at 20 ℃; for 18h;

sodium cyanide; In water; N,N-dimethyl-formamide; at 70 ℃; for 4h;

DOI:10.1021/acs.orglett.0c02026

Reference yield:

sodium cyanide (773837-37-9) + 5-methylindole-3-carboxaldehyde (52562-50-2) → 2-(5-methyl-1H-indol-3-yl)acetonitrile (65881-14-3)

Guidance literature:

5-methylindole-3-carboxaldehyde; With sodium tetrahydroborate; formamide; In methanol;

sodium cyanide;

DOI:10.3390/molecules26154605

upstream raw materials:

N,N-dimethyl-1-(5-methyl-1H-indol-3-yl)methanamine

5-methyl-1H-indole

2-aminoacetonitrile hydrochloride

sodium cyanide

Downstream raw materials:

5-methyltryptamine

2-(5-methyl-1H-indol-3-yl)acetic acid

1-(2,6-Diisopropyl-phenyl)-3-[1-(1,5-dimethyl-1H-indol-3-yl)-cyclopentylmethyl]-urea

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