Ethyl 4-fluoro-3-nitrobenzoate

Base Information

• Chemical Name: Ethyl 4-fluoro-3-nitrobenzoate
• CAS No.: 367-80-6
• Molecular Formula: C9H8FNO4
• Molecular Weight: 213.165
• Hs Code.: 2916399090
• Mol file: 367-80-6.mol

Synonyms:4-Fluoro-3-nitrobenzoicacid ethyl ester;

Chemical Property of Ethyl 4-fluoro-3-nitrobenzoate

Chemical Property:

• Vapor Pressure: 0.000534mmHg at 25°C
• Melting Point: 45.3 °C
• Refractive Index: 1.527
• Boiling Point: 312.3 °C at 760 mmHg
• Flash Point: 142.7 °C
• PSA: 72.12000
• Density: 1.333 g/cm³
• LogP: 2.43380
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

Ethyl4-fluoro-3-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Ethyl 4-fluoro-3-nitrobenzoate

There total 8 articles about Ethyl 4-fluoro-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: 97.0%

ethanol (64-17-5) + 3-nitro-4-fluorobenzoic acid (453-71-4) → ethyl 4-fluoro-3-nitrobenzoate (367-80-6)

Guidance literature:

With sulfuric acid;

DOI:10.1016/j.bmcl.2006.01.032

Reference yield: 94.0%

3-nitro-4-fluorobenzoic acid (453-71-4) + boron trifluoride diethyl etherate (109-63-7) → ethyl 4-fluoro-3-nitrobenzoate (367-80-6)

Guidance literature:

at 120 ℃; for 4h;

DOI:10.4314/bcse.v32i2.16

Reference yield: 90.0%

4-fluorobenzoic acid ethyl ester (451-46-7) → ethyl 4-fluoro-3-nitrobenzoate (367-80-6)

Guidance literature:

With sulfuric acid; nitric acid; at 0 ℃; for 0.75h;

DOI:10.1016/j.tet.2007.01.047

upstream raw materials:

ethanol

4-fluoro-3-nitrobenzoyl chloride

ethyl 4-chloro-3-nitrobenzoate

3-nitro-4-fluorobenzoic acid

Downstream raw materials:

4-cyclohexylamino-3-nitrobenzoic acid ethyl ester

4-(3-hydroxymethyl-phenylamino)-3-nitro-benzoic acid ethyl ester

4-(2-methoxycarbonyl-phenoxy)-3-nitrobenzoic acid ethyl ester

C₁₁H₁₄FNO₂

Refernces

• 1、 Dolles, Dominik,Hoffmann, Matthias,Gunesch, Sandra,Marinelli, Oliviero,M?ller, Jan,Santoni, Giorgio,Chatonnet, Arnaud,Lohse, Martin J.,Wittmann, Hans-Joachim,Strasser, Andrea,Nabissi, Massimo,Maurice, Tangui,Decker, Michael. "Structure-Activity Relationships and Computational Investigations into the Development of Potent and Balanced Dual-Acting Butyrylcholinesterase Inhibitors and Human Cannabinoid Receptor 2 Ligands with Pro-Cognitive in Vivo Profiles". supporting information. p. 1646 - 1663. Retrieved 2018/03/06.
• 2、 Jumbam, Ndze D.,Maganga, Yamkela,Masamba, Wayiza,Mbunye, Nomthandazo I.,Mgoqi, Esethu,Mtwa, Sphumusa. "Unprecedented alkylation of carboxylic acids by boron trifluoride etherate". . p. 387 - 392. Retrieved 2018/09/06.