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

Base Information

• Chemical Name: 7-methyl-5-nitro-1H-indole
• CAS No.: 10553-08-9
• Molecular Formula: C₉H₈N₂O₂
• Molecular Weight: 176.175
• European Community (EC) Number: 854-637-1
• DSSTox Substance ID: DTXSID501311441

Synonyms:7-methyl-5-nitro-1H-indole;10553-08-9;7-Methyl-5-nitroindole;SCHEMBL3298360;BGLMRHYPBSQOTA-UHFFFAOYSA-N;DTXSID501311441;PS-19512;CS-0224986;E85849;EN300-122197

Chemical Property of 7-methyl-5-nitro-1H-indole

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 176.058577502
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

7-methyl-5-nitro-1H-indole 95.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC2=C1NC=C2)[N+](=O)[O-]

Technology Process of 7-methyl-5-nitro-1H-indole

There total 3 articles about 7-methyl-5-nitro-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:

7-methyl-5-nitro-1H-indoline (1000604-16-9) → 7-methyl-5-nitro-1H-indole (10553-08-9)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; at 20 ℃; for 3h;

Reference yield:

7-bromo-5-nitroindoline (87240-06-0) + tetramethylstannane (594-27-4) → 7-methyl-5-nitro-1H-indole (10553-08-9)

Guidance literature:

bis(triphenylphosphine)palladium(II)-chloride; In N,N-dimethyl-formamide;

Reference yield:

→ 7-methyl-5-nitro-1H-indole (10553-08-9)

Guidance literature:

5-Nitro-7-methyl-indol-carbonsaeure-(2), Kupferoxid, Chinolin, 2 h, Erhitzen;

upstream raw materials:

7-bromo-5-nitroindoline

tetramethylstannane

7-methyl-5-nitro-1H-indoline

Downstream raw materials:

5-Amino-7-methyl-indol

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