1-methyl-5-nitro-2-phenyl-1H-indole

Base Information

• Chemical Name: 1-methyl-5-nitro-2-phenyl-1H-indole
• CAS No.: 31521-56-9
• Molecular Formula: C15H12N2O2
• Molecular Weight: 252.272
• DSSTox Substance ID: DTXSID20392131
• ChEMBL ID: CHEMBL4216885
• Mol file: 31521-56-9.mol

Synonyms:1-methyl-5-nitro-2-phenyl-1H-indole;1-methyl-5-nitro-2-phenylindole;31521-56-9;CHEMBL4216885;SCHEMBL2420496;2-phenyl-1-methyl-5-nitroindole;DTXSID20392131;OEBSQOZGZHYXPE-UHFFFAOYSA-N;BDBM50453936;STK384450;AKOS005453043

Chemical Property of 1-methyl-5-nitro-2-phenyl-1H-indole

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 252.089877630
• Heavy Atom Count: 19
• Complexity: 336

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C2=C(C=C(C=C2)[N+](=O)[O-])C=C1C3=CC=CC=C3

Technology Process of 1-methyl-5-nitro-2-phenyl-1H-indole

There total 9 articles about 1-methyl-5-nitro-2-phenyl-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: 99.7%

5-nitro-2-phenyl-1H-indole (4993-87-7) + methyl iodide (74-88-4) → 1-methyl-5-nitro-2-phenyl-1H-indole (31521-56-9)

Guidance literature:

5-nitro-2-phenyl-1H-indole; With sodium hydride; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 1h;

methyl iodide; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 1h;

Reference yield: 85.0%

2-bromo-5-nitro-1H-indole (1246471-11-3) + methyl iodide (74-88-4) → 1-methyl-5-nitro-2-phenyl-1H-indole (31521-56-9)

Guidance literature:

2-bromo-5-nitro-1H-indole; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 0.5h;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃; for 1.5h;

Reference yield: 85.0%

1-methyl-2-phenyl-1H-indole (3558-24-5) → 1-methyl-5-nitro-2-phenyl-1H-indole (31521-56-9)

Guidance literature:

With sulfuric acid; potassium nitrate; at 5 ℃; for 0.0833333h;

upstream raw materials:

1-methyl-2-phenyl-1H-indole

1-methyl-5-nitro-1H-indole

iodobenzene

5-nitroindole

Downstream raw materials:

5-amino-1-methyl-2-phenylindole

1-methyl-2-phenyl-3,5-dinitroindole