Methyl 4-fluoro-3-nitrobenzoate

Base Information

• Chemical Name: Methyl 4-fluoro-3-nitrobenzoate
• CAS No.: 329-59-9
• Molecular Formula: C8H6FNO4
• Molecular Weight: 199.138
• Hs Code.: 2916399090
• European Community (EC) Number: 683-872-0
• DSSTox Substance ID: DTXSID00410923
• Nikkaji Number: J1.802.832H
• Wikidata: Q72490817
• Mol file: 329-59-9.mol

Synonyms:Methyl 4-fluoro-3-nitrobenzoate;329-59-9;Methyl 4-fluoro-3-nitro-benzoate;MFCD00196161;4-fluoro-3-nitrobenzoic acid methyl ester;4-fluoro-3-nitro-benzoic acid methyl ester;Benzoic acid, 4-fluoro-3-nitro-, methyl ester;METHYL4-FLUORO-3-NITROBENZOATE;3-Nitro-4-fluorobenzoic acid methyl ester;SCHEMBL31493;methyl 4-fluoro-3 nitrobenzoate;DTXSID00410923;CNJJSTPBUHAEFH-UHFFFAOYSA-N;4-carbomethoxy-2-nitrofluorobenzene;AKOS000779333;CS-W004731;GS-3329;PB42554;Methyl 4-fluoro-3-nitrobenzoate, 97%;AM803705;BP-11729;SY002058;3-Nitro-4-fluoro-benzoic acid methyl ester;FT-0600643;M2535;VU0612247-1;EN300-138567;A821530;4-Fluoro-3-nitrobenzenecarboxylic acid, methyl ester;J-522345;F3358-0070

Chemical Property of Methyl 4-fluoro-3-nitrobenzoate

Chemical Property:

• Vapor Pressure: 0.0012mmHg at 25°C
• Melting Point: 56-59℃
• Refractive Index: 1.533
• Boiling Point: 299.4 °C at 760 mmHg
• Flash Point: 134.9 °C
• PSA: 72.12000
• Density: 1.388 g/cm³
• LogP: 2.04370
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Soluble in ethanol, ether and methanol. Insoluble in water.
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 199.02808583
• Heavy Atom Count: 14
• Complexity: 240

Purity/Quality:

98% ^*data from raw suppliers

Methyl 4-Fluoro-3-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]
• Uses: Methyl 4-fluoro-3-nitrobenzoate is used to prepare dimethyl 3-nitro-3',4-oxydibenzoate by reacting with 3-hydroxy-benzoic acid methyl ester.

Technology Process of Methyl 4-fluoro-3-nitrobenzoate

There total 15 articles about Methyl 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: 100.0%

methanol (67-56-1) + 3-nitro-4-fluorobenzoic acid (453-71-4) → 4-fluoro-3-nitro-benzoic acid methyl ester (329-59-9)

Guidance literature:

methanol; 3-nitro-4-fluorobenzoic acid; With thionyl chloride; at 0 - 20 ℃;

With water; sodium hydrogencarbonate; In ethyl acetate;

Reference yield: 100.0%

3-nitro-4-fluorobenzoic acid (453-71-4) → 4-fluoro-3-nitro-benzoic acid methyl ester (329-59-9)

Guidance literature:

Reference yield: 99.0%

3-nitro-4-fluorobenzoic acid (453-71-4) + diazomethyl-trimethyl-silane (18107-18-1) → 4-fluoro-3-nitro-benzoic acid methyl ester (329-59-9)

Guidance literature:

With methanol; In hexanes; dichloromethane; at 0 ℃; for 1h;

upstream raw materials:

methanol

4-fluoro-3-nitrobenzoyl chloride

methyl 3-nitro-4-chlorobenzoate

4-Fluorobenzoic acid

Downstream raw materials:

4-isopropylamino-3-nitrobenzoic acid methyl ester

4-[1,4]diazepan-1-yl-3-nitrobenzoic acid methyl ester

4-(1-methoxycarbonylcyclopropoxy)-3-nitrobenzoic acid methyl ester

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

Refernces

• 1、 -. "PGDH INHIBITORS AND METHODS OF MAKING AND USING". Paragraph 0271; 0278-0279. . Retrieved 2021/07/31.
• 2、 ?al??kan, Burcu,Banoglu, Erden,Gür Maz, Tu??e,Nocentini, Alessio,Supuran, Claudiu T.,Uslu, Azize Gizem. "Benzimidazole derivatives as potent and isoform selective tumor-associated carbonic anhydrase IX/XII inhibitors". supporting information. . Retrieved 2020/01/08.