Ethyl 3-methyl-4-nitrobenzoate

Base Information

• Chemical Name: Ethyl 3-methyl-4-nitrobenzoate
• CAS No.: 30650-90-9
• Molecular Formula: C10H11 N O4
• Molecular Weight: 209.202
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID00383865
• Nikkaji Number: J2.577.723I
• Wikidata: Q72493462
• Mol file: 30650-90-9.mol

Synonyms:ethyl 3-methyl-4-nitrobenzoate;30650-90-9;Benzoic acid, 3-methyl-4-nitro-, ethyl ester;MFCD00115804;3-methyl-4-nitrobenzoic acid ethyl ester;SCHEMBL3559893;POTASSIUMHEXAFLUORONIOBATE;ethyl 3-methyl-4-nitro-benzoate;DTXSID00383865;OAXJZQMFWBIRKF-UHFFFAOYSA-N;STK401657;AKOS003235814;AS-8501;CCG-234470;BP-13048;SY018772;CS-0128354;FT-0638930;O11779;A820468

Chemical Property of Ethyl 3-methyl-4-nitrobenzoate

Chemical Property:

• Vapor Pressure: 0.000157mmHg at 25°C
• Melting Point: 53-55oC
• Boiling Point: 331.3°Cat760mmHg
• Flash Point: 150.2°C
• PSA: 72.12000
• Density: 1.216g/cm³
• LogP: 2.60310
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 209.06880783
• Heavy Atom Count: 15
• Complexity: 248

Purity/Quality:

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

Ethyl3-methyl-4-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 3-methyl-4-nitrobenzoate

There total 3 articles about Ethyl 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: 96.1%

3-methyl-4-nitrobenzoic acid (3113-71-1) → 3-methyl-4-nitro-benzoic acid ethyl ester (30650-90-9)

Guidance literature:

With thionyl chloride; In ethanol; at 0 - 80 ℃; for 2h;

Reference yield: 92.0%

ethanol (64-17-5) + 3-methyl-4-nitrobenzoic acid (3113-71-1) → 3-methyl-4-nitro-benzoic acid ethyl ester (30650-90-9)

Guidance literature:

With sulfuric acid; for 24h; Heating;

DOI:10.1021/jo951790b

Reference yield: 91.0%

3-methyl-4-nitrobenzoic acid (3113-71-1) + ethyl iodide (75-03-6) → 3-methyl-4-nitro-benzoic acid ethyl ester (30650-90-9)

Guidance literature:

With sodium hydrogencarbonate; In N,N-dimethyl-formamide;

upstream raw materials:

ethanol

3-methyl-4-nitrobenzoic acid

ethyl iodide

Downstream raw materials:

4-{[2-n-propyl-4-methyl-6-(1-methyl-d₃-benzoimidazol-2-yl)benzoimidazol-1-yl]methyl}biphenyl-2-carboxylic acid

ethyl 4-acetylamino-3-(2,4-dichlorobenzylamino)methylbenzoate

ethyl 3-(2,4-dichlorobenzylamino)methyl-4-nitrobenzoate hydrochloride

Refernces

• 1、 -. "Deuterated methyl telmisartan as well as preparation method and application thereof". Paragraph 0087-0092. . Retrieved 2018/08/28.
• 2、 Nishioka, Hidenori,Liang, Xingguo,Asanuma, Hiroyuki. "Effect of the ortho modification of azobenzene on the photoregulatory efficiency of DNA hybridization and the thermal stability of its eis form". supporting information; experimental part. p. 2054 - 2062. Retrieved 2010/07/05.