Ethyl 4-Ethoxy-3-nitrobenzoate

Base Information

• Chemical Name: Ethyl 4-Ethoxy-3-nitrobenzoate
• CAS No.: 937625-32-6
• Molecular Formula: C11H13NO5
• Molecular Weight: 239.228
• Hs Code.: 2918990090
• European Community (EC) Number: 814-423-0
• DSSTox Substance ID: DTXSID30586246
• Wikidata: Q82478339
• Mol file: 937625-32-6.mol

Synonyms:Ethyl 4-Ethoxy-3-nitrobenzoate;937625-32-6;4-Ethoxy-3-nitro-benzoic acid ethyl ester;Ethyl4-Ethoxy-3-nitrobenzoate;SCHEMBL5913195;DTXSID30586246;OFGXEABLPOGFPA-UHFFFAOYSA-N;MFCD08692632;AKOS000276724

Chemical Property of Ethyl 4-Ethoxy-3-nitrobenzoate

Chemical Property:

• PSA: 81.35000
• LogP: 2.69340
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 239.07937252
• Heavy Atom Count: 17
• Complexity: 276

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 4-ethoxy-3-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-]

Technology Process of Ethyl 4-Ethoxy-3-nitrobenzoate

There total 4 articles about Ethyl 4-Ethoxy-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: 94.0%

3-nitro-4-hydroxybenzoic acid (616-82-0) + ethyl iodide (75-03-6) → ethyl 4-ethoxy-3-nitrobenzoate (937625-32-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 50 ℃; for 72h; Inert atmosphere;

Reference yield:

4-fluoro-3-nitro-benzoic acid methyl ester (329-59-9) → ethyl 4-ethoxy-3-nitrobenzoate (937625-32-6)

Guidance literature:

With sodium ethanolate; In ethanol; at 20 ℃; for 0.166667h;

Reference yield:

4-fluoro-3-nitro-benzoic acid methyl ester (329-59-9) + sodium ethanolate (141-52-6) → ethyl 4-ethoxy-3-nitrobenzoate (937625-32-6)

Guidance literature:

In ethanol; at 20 ℃; for 0.166667h;

upstream raw materials:

ethyl bromide

3-nitro-4-hydroxybenzoic acid

ethyl iodide

4-fluoro-3-nitro-benzoic acid methyl ester

Downstream raw materials:

2-(4-ethoxy-3-nitro-phenyl)-oxazole

3-amino-4-ethoxybenzoic acid

tert-butyl N-(5-{5-[5-(4-ethoxy-3-methanesulfonamidophenyl)-1,2,4-oxadiazol-3-yl]-1-benzofuran-2-yl}-2,2-dimethyl-1,3-dioxan-5-yl)carbamate

N-(2-ethoxy-5-(3-(3-iodo-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl)phenyl)methanesulfonamide