403-33-8

Basic information

• Product Name: Methyl 4-fluorobenzoate
• Synonyms: RARECHEM AL BF 0076;Benzoic acid, 4-fluoro-, methyl ester;Benzoic acid, p-fluoro-, methyl ester;p-Fluorobenzoic acid, methyl ester;METHYL 4-FLUOROBENZOATE;METHYL 4-FLUOROBENZOIC ACID;METHYL P-FLUOROBENZOATE;ASISCHEM P32019
• CAS NO: 403-33-8
• Molecular Formula: C₈H₇FO₂
• Molecular Weight: 154.14
• EINECS: 206-956-7
• Product Categories: Aromatic Esters;Esters;Phenyls & Phenyl-Het;Acids & Esters;Fluorine Compounds;Phenyls & Phenyl-Het;C8 to C9;Carbonyl Compounds;Aryl Fluorinated Building Blocks;Building Blocks;C8 to C9;C8-C12;Carbonyl Compounds;Chemical Synthesis;Fluorinated Building Blocks;Organic Building Blocks;Organic Fluorinated Building Blocks;Other Fluorinated Organic Building Blocks
• Mol File: 403-33-8.mol
• Article Data: 169

Chemical Properties

• Melting Point: 4.5 °C
• Boiling Point: 90-92 °C20 mm Hg(lit.)
• Flash Point: 172 °F
• Appearance: /
• Density: 1.192 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.698mmHg at 25°C
• Refractive Index: n20/D 1.494(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• BRN: 2085925
• CAS DataBase Reference: Methyl 4-fluorobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 4-fluorobenzoate(403-33-8)
• EPA Substance Registry System: Methyl 4-fluorobenzoate(403-33-8)

Safety Data

• Hazard Codes: Xn,T,Xi
• Statements: 22-37/38-41-36/38
• Safety Statements: 26-36/39-36
• WGK Germany: 2
• HazardClass: IRRITANT
• Hazardous Substances Data: 403-33-8(Hazardous Substances Data)

Usage

Chemical Properties

Colorless liquid

Uses

Different sources of media describe the Uses of 403-33-8 differently. You can refer to the following data:
1. 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).
2. 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.

InChI:InChI=1/C8H10FN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3

Upstream product

• 95-50-1 1,2-dichloro-benzene 
• 456-22-4 4-Fluorobenzoic acid 
• 74-88-4 methyl iodide 
• 7116-50-9 1-fluoro-4-methoxymethyl-benzene 
• 619-45-4 4-methoxycarbonyl aniline 
• 201230-82-2 carbon monoxide 
• 460-00-4 1-Bromo-4-fluorobenzene 
• 67-56-1 methanol 
• 122-01-0 4-chloro-benzoyl chloride 
• 403-43-0 4-fluorobenzoyl chloride 
• 107-31-3 Methyl formate 
• 352-34-1 4-fluoro-1-iodobenzene 
• 124-41-4 sodium methylate 
• 459-23-4 4-fluorobenzaldoxime 

Downstream Products

• 366-62-1 2-(4-fluoro-phenyl)-1-pyridin-2-yl-ethanone 
• 379-57-7 4,4',4''-trifluorotriphenylmethanol 
• 76481-34-0 3-(4'-fluorophenyl)pentan-3-ol 
• 861845-98-9 4-(3-amino-pyrrolidin-1-yl)-benzoic acid methyl ester 
• 456-08-6 4-fluoro-cyclohex-3-enecarboxylic acid methyl ester 
• 1131345-66-8 methyl 4-{[2-(1-cyclobutylpiperidin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy}benzoate 
• 61019-25-8 4-amino-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione 
• 736084-51-8 N'-(4-fluoro-benzoyl)-hydrazinecarbodithioic acid 
• 61019-25-8 4-amino-5-(3-fiuorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thiol 
• 762172-92-9 methanesulfonic acid [2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methyl ester 
• 480458-37-5 [2-(4-fluorophenyl)-3-(2-methanesulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-ylmethyl]dimethylamine 
• 887645-49-0 [2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-ylmethyl]dimethylamine 

Relevant articles and documents

Absolute raman intensities of the carbonyl stretching band in para substituted methyl benzoates

The absolute Raman intensities of the vC=0 band of para-substituted methyl benzoates have been measured in CCl4 solution at different excitation frequencies. The intensities depend on a preresonance Raman effect (PRRE) and are correlated with theoretical expressions which describe the dispersion of the Raman intensity as a function of the excitation frequency and the experimental UV frequencies of the compounds, in particular the π→π* 1La band. The Raman intensities free from PRRE are deduced by extrapolating the experimental values to a zero excitation frequency. These extrapolated intensities depend on the electron-donating character of the substituents and on the extent of the conjugated system. The depolarization ratio of the vC=0 band in methyl benzoates increases with the excitation energies. This ratio is higher for the para-substituted derivatives.

Br?nsted acid-catalyzed chlorination of aromatic carboxylic acids

The chlorination of aromatic carboxylic acids with SOCl2 has been effectively performed by reacting with a Br?nsted acid as the catalyst. Based on this discovery, an efficient catalytic method that is cheaper than traditional catalytic methods was developed. 20 substrates were chlorinated offering excellent yields in a short reaction time. And the SOCl2/Br?nsted acid system has been used in a larger scale preparative reaction. A dual activation mechanism was proposed to prove the irreplaceable system of SOCl2/Br?nsted acid.

Hydroxyl radical-mediated oxidative cleavage of CC bonds and further esterification reaction by heterogeneous semiconductor photocatalysis

A hydroxyl radical-mediated aerobic cleavage of alkenes and further sequence esterification reaction for the preparation of carbonyl compounds have been developed by using tubular carbon nitride (TCN) as a general heterogeneous photocatalyst under an oxygen atmosphere with visible light irradiation. This protocol has an excellent substrate scope and gives the desired aldehydes, ketones and esters in moderate to high yields. Importantly, this metal-free procedure employed photogenerated hydroxyl radicals in situ as green oxidation active species, avoiding the present additional initiators. The reaction could be carried out under solar light irradiation and was applicable to large-scale reactions. Furthermore, the recyclable TCN catalyst could be used several times without a significant loss of activities.