Methyl 2-Methyl-4-nitrobenzoate

Base Information

• Chemical Name: Methyl 2-Methyl-4-nitrobenzoate
• CAS No.: 62621-09-4
• Molecular Formula: C9H9NO4
• Molecular Weight: 195.175
• Hs Code.: 2916399090
• UNII: WFH9F997GL
• DSSTox Substance ID: DTXSID70568026
• Wikidata: Q72493472
• Mol file: 62621-09-4.mol

Synonyms:o-Toluicacid, 4-nitro-, methyl ester (6CI);2-Methyl-4-nitrobenzoic acid methyl ester;Methyl 2-methyl-4-nitrobenzoate;

Chemical Property of Methyl 2-Methyl-4-nitrobenzoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 74.0 to 78.0 °C
• Refractive Index: 1.548
• Boiling Point: 315.445 °C at 760 mmHg
• Flash Point: 148.51 °C
• PSA: 72.12000
• Density: 1.256 g/cm³
• LogP: 2.21300
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2
• 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:

98%,99%, ^*data from raw suppliers

Methyl 2-Methyl-4-nitrobenzoate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OC
• Uses: methyl 2-methyl-4-nitrobenzoate is a useful research chemical.

Technology Process of Methyl 2-Methyl-4-nitrobenzoate

There total 9 articles about Methyl 2-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: 100.0%

2-methyl-4-nitrobenzoic acid (1975-51-5) + methyl iodide (74-88-4) → methyl 2-methyl-4-nitrobenzoate (62621-09-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

Reference yield: 100.0%

methanol (67-56-1) + 2-methyl-4-nitrobenzoic acid (1975-51-5) → methyl 2-methyl-4-nitrobenzoate (62621-09-4)

Guidance literature:

With thionyl chloride; at 70 ℃; for 4h;

DOI:10.1016/j.bmcl.2007.12.038 DOI:10.1016/j.bmcl.2007.12.039

Reference yield: 100.0%

methanol (67-56-1) + 2-methyl-4-nitrobenzoyl chloride (30459-70-2) → methyl 2-methyl-4-nitrobenzoate (62621-09-4)

Guidance literature:

In dichloromethane; at 0 ℃; for 0.5h;

upstream raw materials:

sodium methylate

methanol

2-methyl-4-nitrobenzoic acid

methyl iodide

Downstream raw materials:

methyl 4-amino-2-methylbenzoate

methyl 2-L-(2,3-dihydro-5-nitro-1-oxo-2(1H)-isoindolyl)-5-[N-(benzyloxycarbonyl)amino]pentanoate

methyl 2-L-(5-amino-2,3-dihydro-1-oxo-2(1H)-isoindolyl)-5-[N-(benzyloxycarbonyl)amino]pentanoate

2-{5-[(2-acetylamino-4-oxo-3,4-dihydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-formyl-amino]-1-oxo-1,3-dihydro-isoindol-2-yl}-5-benzyloxycarbonylamino-pentanoic acid methyl ester

Refernces

• 1、 -. "A kind of diaryl hydanto?n derivatives, its preparation method, pharmaceutical composition and application". Paragraph 0117. . Retrieved 2016/10/20.
• 2、 -. "HETEROARYL COMPOUNDS AND USES THEREOF". Paragraph 00866. . Retrieved 2016/06/28.