Ethyl 2-methyl-3-nitrobenzoate

Base Information

• Chemical Name: Ethyl 2-methyl-3-nitrobenzoate
• CAS No.: 59382-60-4
• Molecular Formula: C10H11NO4
• Molecular Weight: 209.202
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID90388102
• Wikidata: Q72493468
• Mol file: 59382-60-4.mol

Synonyms:ethyl 2-methyl-3-nitrobenzoate;59382-60-4;Benzoic acid, 2-methyl-3-nitro-, ethyl ester;ethyl2-methyl-3-nitrobenzoate;SCHEMBL3481205;DTXSID90388102;XINYBVBBEWUEPZ-UHFFFAOYSA-N;MFCD07359723;STL285376;AKOS000391201;AS-8556;FT-0704180;D87277

Chemical Property of Ethyl 2-methyl-3-nitrobenzoate

Chemical Property:

• Boiling Point: 112-114℃ (0.3 Torr)
• PSA: 72.12000
• Density: 1.216±0.06 g/cm3(Predicted)
• LogP: 2.60310
• XLogP3: 2.3
• 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:

98.0%Min ^*data from raw suppliers

Ethyl 2-methyl-3-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-methyl-3-nitrobenzoate

There total 1 articles about Ethyl 2-methyl-3-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: 98.0%

ethanol (64-17-5) + 2-methyl-3-nitrobenzic acid (1975-50-4) → ethyl 2-methyl-3-nitrobenzoate (59382-60-4)

Guidance literature:

With sulfuric acid; at 20 ℃; for 168h;

DOI:10.1002/ejoc.201000086

Reference yield: 93.0%

ethyl 2-methyl-3-nitrobenzoate (59382-60-4) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → 2-((E)-2-Dimethylamino-vinyl)-3-nitro-benzoic acid ethyl ester (71516-34-2)

Guidance literature:

In N,N-dimethyl-formamide; for 16h; Inert atmosphere; Reflux;

DOI:10.1016/j.tet.2011.08.094

Reference yield: 78.0%

ethyl 2-methyl-3-nitrobenzoate (59382-60-4) → ethyl 3-amino-2-methyl-benzoate (57414-85-4)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; for 168h; under 760.051 Torr; Darkness;

DOI:10.1002/ejoc.201000086

upstream raw materials:

ethanol

2-methyl-3-nitrobenzic acid

Downstream raw materials:

2-[2-(2-Ethoxycarbonyl-6-nitro-phenyl)-1-(4-methoxy-phenyl)-ethyl]-malonic acid dimethyl ester

(3S,4S)-3-Hydroxy-4-(4-methoxy-phenyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-6-carboxylic acid ethyl ester

(3R,4S)-3-Hydroxy-4-(4-methoxy-phenyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-6-carboxylic acid ethyl ester

(3S,4R)-3-Acetoxy-1-(2-dimethylamino-ethyl)-4-(4-methoxy-phenyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-6-carboxylic acid ethyl ester