819883-83-5

Basic information

• Product Name: Benzoic acid, 4-(2-fluoroethyl)-, methyl ester
• CAS NO: 819883-83-5
• Molecular Formula: C10H11FO2
• Molecular Weight: 182.195
• Mol File: 819883-83-5.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: Benzoic acid, 4-(2-fluoroethyl)-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 4-(2-fluoroethyl)-, methyl ester(819883-83-5)
• EPA Substance Registry System: Benzoic acid, 4-(2-fluoroethyl)-, methyl ester(819883-83-5)

Safety Data

• Hazardous Substances Data: 819883-83-5(Hazardous Substances Data)

Upstream product

• 762-51-6 1-fluoro-2-iodoethane 
• 99768-12-4 4-methoxycarbonylphenylboronic acid 
• 1076-96-6 methyl 4-vinylbenzoate 
• 1075-49-6 4-ethenylbenzoic acid 
• 46190-45-8 4-(2-hydroxyethyl)benzoic acid methyl ester 

Downstream Products

• 1115986-92-9 (4-(2-fluoroethyl)phenyl)methanol 
• 819883-84-6 4-(2-fluoroethyl)benzoic acid 

Relevant articles and documents

Exploiting the trifluoroethyl group as a precatalyst ligand in nickel-catalyzed Suzuki-type alkylations

We report herein the exploitment of the partially fluorinated trifluoroethyl as precatalyst ligands in nickel-catalyzed Suzuki-type alkylation and fluoroalkylation coupling reactions. Compared with the [LnNiII(aryl)(X)] precatalysts, the unique characters of bis-trifluoroethyl ligands imparted precatalyst [(bipy)Ni(CH2CF3)2] with bench-top stability, good solubilities in organic media and interesting catalytic activities. Preliminary mechanistic studies reveal that an eliminative extrusion of a vinylidene difluoride (VDF, CH2CF2) mask from [(bipy)Ni(CH2CF3)2] is a critical step for the initiation of a catalytic reaction.

Evaluation of N-phenyl homopiperazine analogs as potential dopamine D 3 receptor selective ligands

A series of N-(2-methoxyphenyl)homopiperazine analogs was prepared and their affinities for dopamine D2, D3, and D4 receptors were measured using competitive radioligand binding assays. Several ligands exhibited high binding affinity and selectivity for the D3 dopamine receptor compared to the D2 receptor subtype. Compounds 11a, 11b, 11c, 11f, 11j and 11k had Ki values ranging from 0.7 to 3.9 nM for the D3 receptor with 30- to 170-fold selectivity for the D 3 versus D2 receptor. Calculated log P values (log P = 2.6-3.6) are within the desired range for passive transport across the blood-brain barrier. When the binding and the intrinsic efficacy of these phenylhomopiperazines was compared to those of previously published phenylpiperazine analogues, it was found that (a) affinity at D2 and D3 dopamine receptors generally decreased, (b) the D3 receptor binding selectivity (D2:D3 Ki value ratio) decreased and, (c) the intrinsic efficacy, measured using a forskolin-dependent adenylyl cyclase inhibition assay, generally increased.