Methyl 4-fluorobenzoate

Base Information

• Chemical Name: Methyl 4-fluorobenzoate
• CAS No.: 403-33-8
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.141
• Hs Code.: 29163990
• European Community (EC) Number: 206-956-7
• NSC Number: 102770
• DSSTox Substance ID: DTXSID40193309
• Nikkaji Number: J213.658I
• Wikidata: Q72490754
• Mol file: 403-33-8.mol

Synonyms:Methyl 4-fluorobenzoate;403-33-8;4-Fluorobenzoic Acid Methyl Ester;Methyl p-fluorobenzoate;Methyl 4-Fluorobenzoic Acid;Benzoic acid, 4-fluoro-, methyl ester;4-fluoro-benzoic acid methyl ester;EINECS 206-956-7;MFCD00017959;METHYL4-FLUOROBENZOATE;4Fluoro Metyl Benzoate;methyl-4-fluorobenzoate;SCHEMBL63811;4-F-C6H4-COOCH3;Methyl 4-fluorobenzoate, 98%;DTXSID40193309;p-Fluorobenzoic acid, methyl ester;4-fluoro benzoic acid methyl ester;4-Fluorobenzoic acid, methyl ester;Benzoicacid, 4-fluoro-, methyl ester, radical ion(1+) (9CI);AB9709;NSC102770;AKOS000295905;AM61512;Benzoic acid, p-fluoro-, methyl ester;CS-W007781;NSC 102770;NSC-102770;PS-8880;898598-33-9;AC-15550;F0403;FT-0618511;EN300-97866;W-106363

Chemical Property of Methyl 4-fluorobenzoate

Chemical Property:

• Vapor Pressure: 0.698mmHg at 25°C
• Melting Point: 4.5 °C
• Refractive Index: n20/D 1.494(lit.)
• Boiling Point: 190.4 °C at 760 mmHg
• Flash Point: 67.4 °C
• PSA: 26.30000
• Density: 1.171 g/cm³
• LogP: 1.61230
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.04300762
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

4-FluorobenzoicAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, T, Xn
• Hazard Codes: Xn,T,Xi
• Statements: 22-37/38-41-36/38
• Safety Statements: 26-36/39-36

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)F
• Uses: 4-Fluorobenzoic Acid Methyl Ester, is an organic fluorinated building block used for the synthesis of various pharmaceutical compounds. It can be used for the preparation of Blonanserin (B595850). Methyl 4-fluorobenzoate can be used in the synthesis of trisubstituted imidazole derivatives containing a 4-fluorophenyl group, a pyrimidine ring, and a CN- or CONH2-substituted benzyl moiety.

Technology Process of Methyl 4-fluorobenzoate

There total 78 articles about Methyl 4-fluorobenzoate 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) + 4-Fluorobenzoic acid (456-22-4) → methyl 4-flurobenzoate (403-33-8)

Guidance literature:

With sulfuric acid; for 4h; Reflux;

DOI:10.2174/157018012799129882

Reference yield: 97.0%

methanol (67-56-1) + 4-fluorobenzaldehyde (459-57-4) → methyl 4-flurobenzoate (403-33-8)

Guidance literature:

With palladium 10% on activated carbon; oxygen; sodium carbonate; at 120 ℃; for 1.5h; under 15001.5 Torr; Microwave irradiation; Green chemistry;

DOI:10.3762/bjoc.10.149

Reference yield: 95.0%

methanol (67-56-1) + 4-fluorobenzylic alcohol (459-56-3) → methyl 4-flurobenzoate (403-33-8)

Guidance literature:

With oxygen; potassium carbonate; at 60 ℃; for 20h; under 750.075 Torr;

DOI:10.1039/c6ra27073e

upstream raw materials:

4-Fluorobenzoic acid

diazomethane

benzoic acid methyl ester

methanol

Downstream raw materials:

2-(4-fluoro-phenyl)-1-pyridin-2-yl-ethanone

(4-fluorophenyl)diphenylmethanol

4-fluoro-N-(2-hydroxyethyl)-benzamide

5-(p-fluorophenyl)-2,3,5,6-tetrahydro-imidazo[2,1-a]isoquinolin-5-ol

Refernces

• 1、 An, Yue,Fu, Weiru,Tan, Shangzhi,Wang, Lianyue,Yu, Xiangzhu,Zhao, Zhengjia,Zhu, Lina. "Aerobic oxidative cleavage and esterification of C[dbnd]C bonds catalyzed by iron-based nanocatalyst". . . Retrieved 2022/02/03.
• 2、 Cao, Xiao,Liu, Fang,Liu, Liwei,Liu, Tingting,Peng, Feng,Wang, Qifan,Xie, Chengwei,Xue, Wei,Yang, Jinsong. "Antibacterial and Antiviral Activities of 1,3,4-Oxadiazole Thioether 4H-Chromen-4-one Derivatives". . p. 11085 - 11094. Retrieved 2021/10/01.