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

• 456-22-4 4-Fluorobenzoic acid 
• 93-58-3 benzoic acid methyl ester 
• 67-56-1 methanol 
• 122-01-0 4-chloro-benzoyl chloride 
• 619-45-4 4-methoxycarbonyl aniline 
• 74-88-4 methyl iodide 
• 456-03-1 1-(4-fluorophenyl)propan-1-one 
• 459-56-3 4-fluorobenzylic alcohol 
• 107-06-2 1,2-dichloro-ethane 
• 99768-12-4 4-methoxycarbonylphenylboronic acid 
• 350-40-3 2-(4-fluorophenyl)-1-propene 
• 352-32-9 p-fluorotoluene 
• 705254-34-8 potassium trifluoro(4-(methoxycarbonyl)phenyl)borate 
• 72755-09-0 4-fluoro-N-methoxybenzamide 

Downstream Products

• 57728-63-9 4-fluoro-N-(2-hydroxyethyl)-benzamide 
• 56882-41-8 5-(p-fluorophenyl)-2,3,5,6-tetrahydro-imidazo[2,1-a]isoquinolin-5-ol 
• 38448-95-2 1-(4'-fluorophenyl)-3-phenylpropane-1,3-dione 
• 217661-99-9 1-(4-fluorophenyl)-2-(2-methylsulphanylpyrimidin-4-yl)-1-ethanone 
• 942207-98-9 4-(2,7-dibromocarbazol-9-yl)benzoic acid methyl ester 
• 942207-99-0 4-(2-bromo-7-chlorocarbazol-9-yl)benzoic acid methyl ester 
• 76481-34-0 3-(4'-fluorophenyl)pentan-3-ol 
• 861845-98-9 4-(3-amino-pyrrolidin-1-yl)-benzoic acid methyl ester 
• 82702-31-6 methyl 3-bromo-4-fluorobenzoate 
• 354813-14-2 4-(4-methylpiperazin-1-yl)benzoic acid methyl ester 
• 877874-61-8 methyl 4-(pyridin-3-yloxy)benzoate 
• 456-08-6 4-fluoro-cyclohex-3-enecarboxylic acid methyl ester 
• 400750-29-0 methyl 4-(1H-pyrazol-1-yI)benzenecarboxylate 
• 127918-55-2 O-methyl 4-fluorobenzothiono ester 

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.

Androgen receptor inhibitor and application thereof

The invention relates to the field of pharmacy, and particularly discloses an androgen receptor (AR) regulator combined with E3 ubiquitin ligase ligand or a salt thereof. Isomer and contains their pharmaceutical compositions.

GPR52 Antagonist Reduces Huntingtin Levels and Ameliorates Huntington's Disease-Related Phenotypes

GPR52 is an orphan G protein-coupled receptor (GPCR) that has been recently implicated as a potential drug target of Huntington's disease (HD), an incurable monogenic neurodegenerative disorder. In this research, we found that striatal knockdown of GPR52 reduces mHTT levels in adult HdhQ140 mice, validating GPR52 as an HD target. In addition, we discovered a highly potent and specific GPR52 antagonist Comp-43 with an IC50 value of 0.63 μM by a structure-activity relationship (SAR) study. Further studies showed that Comp-43 reduces mHTT levels by targeting GPR52 and promotes survival of mouse primary striatal neurons. Moreover, in vivo study showed that Comp-43 not only reduces mHTT levels but also rescues HD-related phenotypes in HdhQ140 mice. Taken together, our study confirms that inhibition of GPR52 is a promising strategy for HD therapy, and the GPR52 antagonist Comp-43 might serve as a lead compound for further investigation.