Methyl 5-methyl-2-nitrobenzoate

Base Information

• Chemical Name: Methyl 5-methyl-2-nitrobenzoate
• CAS No.: 20587-30-8
• Molecular Formula: C9H9NO4
• Molecular Weight: 195.175
• Hs Code.: 2916399090
• European Community (EC) Number: 659-650-4
• DSSTox Substance ID: DTXSID40391368
• Nikkaji Number: J2.858.159I
• Wikidata: Q72492905
• Mol file: 20587-30-8.mol

Synonyms:methyl 5-methyl-2-nitrobenzoate;20587-30-8;Benzoic acid, 5-methyl-2-nitro-, methyl ester;5-methyl-2-nitrobenzoic acid methyl ester;MFCD00157275;5-Methyl-2-nitro-benzoic acid methyl ester;Methyl5-Methyl-2-nitrobenzoate;Methyl 6-Nitro-m-toluate;SCHEMBL145815;methyl-5-methyl-2-nitrobenzoate;DTXSID40391368;KFOICDVZQKFCGM-UHFFFAOYSA-N;BCP24481;6-Nitro-m-toluic Acid Methyl Ester;AR3260;AKOS006274422;PS-3981;SY006312;2-Nitro-5-methylbenzoic acid methyl ester;BB 0261386;CS-0042738;FT-0769228;M2544;A930329

Chemical Property of Methyl 5-methyl-2-nitrobenzoate

Chemical Property:

• Melting Point: 77-79℃
• Boiling Point: 305.1±22.0 °C(Predicted)
• PSA: 72.12000
• Density: 1.255
• 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 5-METHYL-2-NITROBENZOATE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 5-methyl-2-nitrobenzoate

There total 4 articles about Methyl 5-methyl-2-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: 99.0%

methanol (67-56-1) + 5-methyl-2-nitrobenzoic acid (3113-72-2) → 5-methyl-2-nitro-benzoic acid methyl ester (20587-30-8)

Guidance literature:

With hydrogenchloride; for 20h; Heating;

Reference yield:

5-methyl-2-nitrobenzoic acid (3113-72-2) + methyl iodide (74-88-4) → 5-methyl-2-nitro-benzoic acid methyl ester (20587-30-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

Reference yield:

m-Toluic acid (99-04-7) → 5-methyl-2-nitro-benzoic acid methyl ester (20587-30-8)

Guidance literature:

Multi-step reaction with 2 steps

1: fuming nitric acid

2: HCl

With hydrogenchloride; nitric acid;

upstream raw materials:

methanol

5-methyl-2-nitrobenzoic acid

1-methoxycarbonyl-3-methylbenzene

nitric acid

Downstream raw materials:

2-amino-5-methylbenzoic acid methyl ester

5-bromomethyl-2-nitrobenzoic acid methyl ester

5-Methyl-2-nitrobenzoic Acid Hydrazide

2-hydroxyamino-5-methyl-benzoic acid methyl ester

Refernces

• 1、 Sch?fer, Pascal M.,McKeown, Paul,Fuchs, Martin,Rittinghaus, Ruth D.,Hermann, Alina,Henkel, Johanna,Seidel, Sebastian,Roitzheim, Christoph,Ksiazkiewicz, Agnieszka N.,Hoffmann, Alexander,Pich, Andrij,Jones, Matthew D.,Herres-Pawlis, Sonja. "Tuning a robust system: N,O zinc guanidine catalysts for the ROP of lactide". . p. 6071 - 6082. Retrieved 2019/05/17.
• 2、 -. "COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS". Paragraph 151. . Retrieved 2015/03/28.