7-Methyl-5-nitroisatin

Base Information

• Chemical Name: 7-Methyl-5-nitroisatin
• CAS No.: 70343-13-4
• Molecular Formula: C9H6N2O4
• Molecular Weight: 206.158
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40405570
• Wikidata: Q82210186
• Mol file: 70343-13-4.mol

Synonyms:7-Methyl-5-nitroisatin;70343-13-4;7-methyl-5-nitro-1H-indole-2,3-dione;7-Methyl-5-nitroindoline-2,3-dione;7-methyl-5-nitro-2,3-dihydro-1H-indole-2,3-dione;5-nitro-7-methylisatin;CBMicro_014503;Cambridge id 5225532;SCHEMBL3738428;DTXSID40405570;SMSF0004840;MFCD00448204;AKOS000151208;CB12524;SB64741;AS-57819;BIM-0014562.P001;CS-0117054;FT-0696146;EN300-1456844;SR-01000507460;SR-01000507460-1

Chemical Property of 7-Methyl-5-nitroisatin

Chemical Property:

• PSA: 91.99000
• LogP: 1.69920
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 206.03275668
• Heavy Atom Count: 15
• Complexity: 336

Purity/Quality:

98% ^*data from raw suppliers

7-Methyl-5-nitroindoline-2,3-dione 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 7-Methyl-5-nitroisatin

There total 6 articles about 7-Methyl-5-nitroisatin 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: 87.0%

7-methyl-1H-indole-2,3-dione (1127-59-9) → 7-methyl-5-nitro-1H-indole-2,3-dione (70343-13-4)

Guidance literature:

With sulfuric acid; nitric acid; at 10 - 14 ℃;

DOI:10.1021/jo060553d

Reference yield: 46.0%

(E)-2-(hydroxyimino)-N-(2-methyl-4-nitrophenyl) acetamide → 7-methyl-5-nitro-1H-indole-2,3-dione (70343-13-4)

Guidance literature:

With sulfuric acid; at 60 - 80 ℃; for 0.333333h;

Reference yield:

o-toluidine (95-53-4) → 7-methyl-5-nitro-1H-indole-2,3-dione (70343-13-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 74 percent / sodium sulfate; HCl / H₂O / 0.03 h / Heating

2: 32 percent / sulfuric acid / 60 - 80 °C

3: 87 percent / nitric acid; sulfuric acid / 10 - 14 °C

With hydrogenchloride; sulfuric acid; nitric acid; sodium sulfate; In water;

DOI:10.1021/jo060553d

upstream raw materials:

7-methyl-1H-indole-2,3-dione

o-toluidine

2-methyl-4-nitro-benzenamine

Downstream raw materials:

2-amino-3-methyl-5-nitrobenzoic acid

2,5-dinitro-3-methylaniline

2,5-dinitro-3-methylbenzoic acid

methyl 2-iodo-3-methyl-5-nitrobenzoate