2-Methyl-3-(2-nitroethenyl)-1h-indole

Base Information

• Chemical Name: 2-Methyl-3-(2-nitroethenyl)-1h-indole
• CAS No.: 2826-91-7
• Molecular Formula: C11H10N2O2
• Molecular Weight: 202.213
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70353792
• Wikidata: Q104989005
• Mol file: 2826-91-7.mol

Synonyms:2-methyl-3-(2-nitroethenyl)-1h-indole;Oprea1_812405;SCHEMBL21221159;DTXSID70353792

Chemical Property of 2-Methyl-3-(2-nitroethenyl)-1h-indole

Chemical Property:

• Vapor Pressure: 2.68E-06mmHg at 25°C
• Boiling Point: 401.7oC at 760 mmHg
• Flash Point: 196.8oC
• PSA: 61.61000
• Density: 1.301g/cm3
• LogP: 3.24690
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 202.074227566
• Heavy Atom Count: 15
• Complexity: 272

Purity/Quality:

97% ^*data from raw suppliers

2-Methyl-3-(2-nitrovinyl)-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=CC=CC=C2N1)C=C[N+](=O)[O-]

Technology Process of 2-Methyl-3-(2-nitroethenyl)-1h-indole

There total 8 articles about 2-Methyl-3-(2-nitroethenyl)-1h-indole 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: 98.0%

2-methyl-1H-indole (95-20-5) + 1-dimethylamino-2-nitroethene (73430-27-0,87446-70-6,1190-92-7) → (E)-2-methyl-3-(2-nitrovinyl)-1H-indole (2826-91-7,122631-40-7)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; 1.) 0 deg C, 1 h, 2.) r.t., 5 h;

DOI:10.1002/ardp.19943270209

Reference yield: 85.0%

2-methyl-1H-indole-3-carbaldehyde (5416-80-8) + nitromethane (75-52-5) → (E)-2-methyl-3-(2-nitrovinyl)-1H-indole (2826-91-7,122631-40-7)

Guidance literature:

With ammonium acetate; for 3h; Reflux;

DOI:10.1080/00397910802406703

Reference yield: 80.4%

2-methyl-1H-indole (95-20-5) + N,N-Dimethyl-2-nitroethylenamin (82781-92-8) → (E)-2-methyl-3-(2-nitrovinyl)-1H-indole (2826-91-7,122631-40-7)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; 1) 0 deg C, 2.5 h, 2) rt, 20 h;

DOI:10.1002/hlca.19900730224

upstream raw materials:

2-methyl-1H-indole-3-carbaldehyde

nitromethane

2-methyl-1H-indole

1-dimethylamino-2-nitroethene

Downstream raw materials:

2-methyltryptamine

3-methoxycarbonyl-3-[1-(2-methylindol-3-yl)-2-nitroethyl]-4-phenyl-2-pyrrolidone

2-fluoro-N-(2-(2-methyl-1H-indol-3-yl)ethyl)benzamide

2-fluoro-4-hydroxy-N-(2-(2-methyl-1H-indol-3-yl)ethyl)benzamide