1,2,4-Trimethyl-3-nitrobenzene

Base Information

• Chemical Name: 1,2,4-Trimethyl-3-nitrobenzene
• CAS No.: 52414-96-7
• Molecular Formula: C9H11NO2
• Molecular Weight: 165.192
• DSSTox Substance ID: DTXSID20498203
• Wikidata: Q82348104
• Mol file: 52414-96-7.mol

Synonyms:1,2,4-Trimethyl-3-nitrobenzene;52414-96-7;SCHEMBL3192684;DTXSID20498203

Chemical Property of 1,2,4-Trimethyl-3-nitrobenzene

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)C)[N+](=O)[O-])C

Technology Process of 1,2,4-Trimethyl-3-nitrobenzene

There total 7 articles about 1,2,4-Trimethyl-3-nitrobenzene 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:

1,2,4-Trimethylbenzene (95-63-6) → 5-nitropseudocumene (610-91-3,172368-91-1) + 3-nitro-1,2,4-trimethylbenzene (52414-96-7) + 1,2,4-trimethyl-6-nitrobenzene (609-88-1)

Guidance literature:

With silver nitrate; boron trifluoride; In acetonitrile; at 25 ℃; for 5h; Product distribution; competitive nitration benzene, relative rate;

DOI:10.1021/jo00330a032

Reference yield:

1,2,4-Trimethylbenzene (95-63-6) + sulfuric acid (7664-93-9) + nitric acid (7697-37-2,78989-43-2) → 5-nitropseudocumene (610-91-3,172368-91-1) + 3-nitro-1,2,4-trimethylbenzene (52414-96-7) + 1,2,4-trimethyl-6-nitrobenzene (609-88-1)

Guidance literature:

Product distribution;

Reference yield:

→ 3-nitro-1,2,4-trimethylbenzene (52414-96-7)

Guidance literature:

Diazotization_.Kochen der Diazoverbindungen mit Alkohol;

upstream raw materials:

1,2,4-Trimethylbenzene

sulfuric acid

nitric acid

Downstream raw materials:

2,3,6-trimethyl-aniline

5-nitropseudocumene

1,2,4-trimethyl-6-nitrobenzene

Refernces

• 1、 Olah, George A.,Fung, Alexander P.,Narang, Subhash C.,Olah, Judith A.. "Aromatic Substitution. 48. Boron Trifluoride Catalyzed Nitration of Aromatics with Silver Nitrate in Acetonitrile Solution". . p. 3533 - 3537. Retrieved 2007/10/02.