Methyl 2,4-dimethyl-5-nitrobenzoate

Base Information

• Chemical Name: Methyl 2,4-dimethyl-5-nitrobenzoate
• CAS No.: 202264-66-2
• Molecular Formula: C10H11 N O4
• Molecular Weight: 209.202
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID00448423
• Wikidata: Q82267402
• Mol file: 202264-66-2.mol

Synonyms:methyl 2,4-dimethyl-5-nitrobenzoate;202264-66-2;Benzoic acid,2,4-dimethyl-5-nitro-, methyl ester;DTXSID00448423;BENZOIC ACID, 2,4-DIMETHYL-5-NITRO-, METHYL ESTER (9CI);CIA26466;methyl2,4-dimethyl-5-nitrobenzoate;CL9023;MFCD00184976;AKOS009485956;AS-46175;CS-0187760;EN300-64779;A929710;Benzoic acid,2,4-dimethyl-5-nitro-,methyl ester(9ci);Z424800398

Chemical Property of Methyl 2,4-dimethyl-5-nitrobenzoate

Chemical Property:

• PSA: 72.12000
• LogP: 2.52140
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 209.06880783
• Heavy Atom Count: 15
• Complexity: 261

Purity/Quality:

99% ^*data from raw suppliers

Methyl2,4-Dimethyl-5-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C(=O)OC)[N+](=O)[O-])C

Technology Process of Methyl 2,4-dimethyl-5-nitrobenzoate

There total 2 articles about Methyl 2,4-dimethyl-5-nitrobenzoate 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: 95.0%

methanol (67-56-1) + 2,4-dimethyl-5-nitrobenzoic acid (220504-75-6) → methyl 2,4-dimethyl-5-nitrobenzoate (202264-66-2)

Guidance literature:

With sulfuric acid; Heating; overnight;

DOI:10.1021/jo980564+

Reference yield:

2,4-dimethyl-benzoic acid (611-01-8) → methyl 2,4-dimethyl-5-nitrobenzoate (202264-66-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 35 percent / conc. H₂SO₄, conc. nitric acid / 1 h / 0 °C

2: 95 percent / conc. H₂SO₄ / Heating; overnight

With sulfuric acid; nitric acid;

DOI:10.1021/jo980564+

Reference yield: 85.0%

methyl 2,4-dimethyl-5-nitrobenzoate (202264-66-2) → methyl 5-amino-2,4-dimethylbenzoate (140112-97-6)

Guidance literature:

With cyclohexene; palladium on activated charcoal; In ethanol; for 16h; Heating;

DOI:10.1021/jo980564+

upstream raw materials:

methanol

2,4-dimethyl-5-nitrobenzoic acid

2,4-dimethyl-benzoic acid

Downstream raw materials:

methyl 5-amino-2,4-dimethylbenzoate

2,4-dimethyl-5-hydroxybenzoic acid

methyl 2,4-dimethyl-5-hydroxybenzene-1-carboxylate

methyl 2,4-dimethyl-5-acetoxybenzoate