Methyl 3-methyl-4-nitrobenzoate

Base Information

• Chemical Name: Methyl 3-methyl-4-nitrobenzoate
• CAS No.: 24078-21-5
• Molecular Formula: C9H9NO4
• Molecular Weight: 195.175
• Hs Code.: 2916399090
• European Community (EC) Number: 607-315-8
• NSC Number: 92763
• DSSTox Substance ID: DTXSID60946915
• Nikkaji Number: J526.325E
• Wikidata: Q72492907
• Mol file: 24078-21-5.mol

Synonyms:Methyl 3-methyl-4-nitrobenzoate;24078-21-5;Benzoic acid, 3-methyl-4-nitro-, methyl ester;24078-71-5;Methyl 3-methyl-4-nitrobenzenecarboxylate;3-Methyl-4-nitrobenzoic Acid Methyl Ester;MFCD00085640;m-Toluic acid, 4-nitro-, methyl ester;PHOSPHONICACID, P-[[(ISOCYANATOSULFONYL)AMINO]CARBONYL]-, DIMETHYL ESTER;NSC92763;Benzoic acid, 3-methyl-4-nitro-methyl ester;Methyl 4-Nitro-m-toluate;SCHEMBL1890677;DTXSID60946915;Methyl 3-Methyl-4-Nitro Benzoate;BCP24522;CS-M0758;Methyl 3-methyl-4-nitrobenzoate #;4-Nitro-m-toluic Acid Methyl Ester;NSC-92763;AKOS003382085;AC-5780;PB47516;METHYL 4-NITRO-3-METHYLBENZOATE;SY006108;3-methyl4-nitro-benzoic acid methyl ester;3-methyl-4-nitro-benzoic acid methyl ester;AM20061238;FT-0628571;FT-0680041;M2145;EN300-99328;A930330;11X-0801;W-206871;Phosphonicacid,p-[[(isocyanatosulfonyl)amino]carbonyl]-,dimethyl ester

Chemical Property of Methyl 3-methyl-4-nitrobenzoate

Chemical Property:

• Appearance/Colour: White to yellowish cystal powder
• Vapor Pressure: 0.00036mmHg at 25°C
• Melting Point: 80 °C
• Refractive Index: 1.548
• Boiling Point: 318.5 °C at 760 mmHg
• Flash Point: 150.6 °C
• PSA: 72.12000
• Density: 1.255 g/cm³
• LogP: 2.21300
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 195.05315777
• Heavy Atom Count: 14
• Complexity: 236

Purity/Quality:

99% ^*data from raw suppliers

Methyl 3-Methyl-4-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Methyl 3-methyl-4-nitrobenzoate

There total 11 articles about Methyl 3-methyl-4-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: 96.4%

methanol (67-56-1) + 3-methyl-4-nitrobenzoic acid (3113-71-1) → methyl 3-methyl-4-nitrobenzoate (24078-21-5)

Guidance literature:

With thionyl chloride; at 0 - 80 ℃; for 1h;

Reference yield: 96.0%

→ methyl 3-methyl-4-nitrobenzoate (24078-21-5)

Guidance literature:

With thionyl chloride; for 2h; Reflux;

Reference yield: 92.0%

3-methyl-4-nitrobenzoic acid (3113-71-1) + dimethyl sulfate (77-78-1) → methyl 3-methyl-4-nitrobenzoate (24078-21-5)

Guidance literature:

3-methyl-4-nitrobenzoic acid; With potassium carbonate; In acetone; at 20 ℃; for 0.166667h;

dimethyl sulfate; In acetone; for 4h; Reflux;

DOI:10.14233/ajchem.2014.15564

upstream raw materials:

methanol

3-methyl-4-nitrobenzoic acid

4-nitrobenzoic acid methyl ester

methyl iodide

Downstream raw materials:

5-methoxycarbonylindole

methyl 1-hydroxy-5-indolecarboxylate

methyl (E)-3-(2-(dimethylamino)vinyl)-4-nitrobenzoate

methyl 2-(6-bromopyridin-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate

Refernces

• 1、 -. "O-nitrophenyl ethanol derivative as well as preparation method and application thereof". Paragraph 0045-0049. . Retrieved 2021/04/17.
• 2、 -. "Aromatic acyl hydrazone derivative and application thereof as NA inhibitor". Paragraph 0039-0043; 0110-0114. . Retrieved 2020/12/30.