127733-45-3

Usage

Uses

Used in Pharmaceutical Industry:
2-((1-(2-(trifluoromethyl)phenyl)ethoxy)carbonyl)benzoic acid serves as a key intermediate in the synthesis of pharmaceutical compounds. Its unique structure allows for the development of new drugs with potential therapeutic applications.
Used in Research and Development:
In the research sector, 2-((1-(2-(trifluoromethyl)phenyl)ethoxy)carbonyl)benzoic acid is utilized for studying the properties and reactions of complex organic molecules. It aids in understanding the behavior of similar compounds and contributes to the advancement of organic chemistry.
Used in Medicinal Chemistry:
As a component in medicinal chemistry, 2-((1-(2-(trifluoromethyl)phenyl)ethoxy)carbonyl)benzoic acid is employed in the design and synthesis of novel drug candidates. Its presence in these compounds can influence their pharmacological properties, such as potency, selectivity, and bioavailability.

Upstream product

• 85-44-9 phthalic anhydride 
• 934226-13-8 C₉H₈F₃O^(1-)*Cl^(1-)*Mg⁽²⁺⁾ 
• 447-61-0 2-Trifluoromethylbenzaldehyde 
• 79756-81-3 (+/-)-α-(o-(trifluoromethyl)phenyl)ethyl alcohol 

Downstream Products

• 127852-26-0 (S)-1-(2-trifluoromethylphenyl)ethyl alcohol phthalate half ester-(S)-1-phenylethylamine 
• 79756-81-3 (S)-1-(2-trifluoromethylphenyl)ethanol 
• 79756-81-3 (S)-1-(2-(trifluoromethyl)phenyl)ethanol 

Relevant academic research and scientific papers

PROCESS FOR PRODUCING OPTICALLY ACTIVE FLUOROBENZYL ALCOHOL

A fluorine-containing benzaldehyde is reacted with an alkyl Grignard reagent to convert it to a magnesium alkoxide of racemic, fluorine-containing, benzyl alcohol, and subsequently the magnesium alkoxide is reacted with phthalic anhydride to obtain a phthalate half ester of racemic, fluorine-containing, benzyl alcohol, and the half ester is optically resolved by optically active 1-phenylethylamine, and then the ester group is hydrolyzed, thereby producing an optically active, fluorine-containing, benzyl alcohol.

Optically active amines. 34.1 Application of the benzene chirality rule to ring-substituted phenylcarbinamines and carbinols

The negative sign of the 1Lb, Cotton effects (CEs) from about 250 to 270 nm in the circular dichroism (CD) spectra of (R)-α-phenylethylamine and (R)-α-phenylethyl alcohol and other phenylalkylcarbinamines and carbinols is determined by vibronic borrowing from allowed transitions at shorter wavelength. On ring substitution, bond transition moments are induced in the benzene ring bonds adjacent to the attachment bond of the chiral group, resulting in enhanced coupling of the 1Lb transition with the chiral group. A sign reversal for the 1Lb, CEs on para substitution with an atom or group with a positive spectroscopic moment (C1, CH3) can be viewed as the overshadowing of the vibronic contribution by an induced contribution of opposite sign On para substitution with a group with a negative spectroscopic moment (CF3, CN), the sign of the 1Lb CEs is unchanged since the vibronic and induced contributions have the same sign. Meta substitution by an atom or group will result in bond moments in an opposite sense from that caused by the same atom or group in the para position. Thus on meta substitution by a group with a positive spectroscopic moment (C1, CH3), both the vibronic and induced contributions have the same sign, and the sign of the 1Lb CEs is the same as that of the unsubstituted parent. For meta substitution by a group with a negative spectroscopic moment (CF3, CN), the sign of the induced contribution is opposite to that of the vibronic contribution. In the case of CF3 and CN groups, the latter is more important than the former, and the sign of the 1Lb CEs is the same as that of the unsubstituted parent. Ortho substitution again reverses the sense of the induced bond transition moments from that induced by the same meta substituents. Thus, provided the position of the substituent and its spectroscopic moment are taken into account the absolute configuration of substituted phenylmethylcarbinamines and carbinols can often be assigned.