2-Benzofurancarboxylic acid, 7-nitro-, ethyl ester

Base Information

• Chemical Name: 2-Benzofurancarboxylic acid, 7-nitro-, ethyl ester
• CAS No.: 110683-72-2
• Molecular Formula: C11H9NO5
• Molecular Weight: 235.196
• DSSTox Substance ID: DTXSID50553935
• Wikidata: Q82434672
• Mol file: 110683-72-2.mol

Synonyms:110683-72-2;ethyl 7-nitrobenzofuran-2-carboxylate;2-Benzofurancarboxylic acid, 7-nitro-, ethyl ester;Ethyl 7-nitro-1-benzofuran-2-carboxylate;SCHEMBL6635123;DTXSID50553935;CS-M3475;ethyl7-nitrobenzofuran-2-carboxylate;CS-15048;C13005

Chemical Property of 2-Benzofurancarboxylic acid, 7-nitro-, ethyl ester

Chemical Property:

• Melting Point: 90-91 °C
• Boiling Point: 359.7±22.0 °C(Predicted)
• PSA: 85.26000
• Density: 1.362±0.06 g/cm3(Predicted)
• LogP: 3.04090
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 235.04807239
• Heavy Atom Count: 17
• Complexity: 314

Purity/Quality:

NLT 98% ^*data from raw suppliers

2-Benzofurancarboxylicacid,7-nitro-,ethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=C(O1)C(=CC=C2)[N+](=O)[O-]

Technology Process of 2-Benzofurancarboxylic acid, 7-nitro-, ethyl ester

There total 5 articles about 2-Benzofurancarboxylic acid, 7-nitro-, ethyl ester 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: 84.0%

3-nitrosalicylic aldehyde (5274-70-4) + Diethyl 2-bromomalonate (685-87-0) → ethyl 7-nitrobenzofuran-2-carboxylate (110683-72-2)

Guidance literature:

With tetrabutylammomium bromide; potassium carbonate; In toluene; for 20h; Heating;

DOI:10.1021/jm00118a011

Reference yield:

ethyl coumarilate (3199-61-9) → ethyl 7-nitrobenzofuran-2-carboxylate (110683-72-2) + ethyl 5-nitrobenzo[d]furan-2-carboxylate (69604-00-8)

Guidance literature:

With sulfuric acid; nitric acid; acetic anhydride;

Reference yield:

ethyl (2-formyl-6-nitrophenoxy)acetate (110683-71-1) → ethyl 7-nitrobenzofuran-2-carboxylate (110683-72-2)

Guidance literature:

With potassium carbonate; In ethanol; for 1h; Heating;

DOI:10.1021/jm00396a013

upstream raw materials:

ethyl coumarilate

3-nitrosalicylic aldehyde

Diethyl 2-bromomalonate

ethyl (2-formyl-6-nitrophenoxy)acetate

Downstream raw materials:

nitro-7 benzofuranne

2-<<4-(7-benzofuranyl)-1-piperazinyl>methyl>-5-(4-fluorophenyl)pyrrole

1-(7-benzofuranyl)-4-<3-(4-fluorobenzoyl)propyl>piperazine hydrochloride