2,4,5-Trifluorophenylacetic acid

CAS Number 209995-38-0

Chemistry Building Blocks, Fluorinated Building Blocks, Monomers, Non-Heterocyclic Building Blocks

2,4,5-Trifluorophenylacetic acid CAS 209995-38-0

A fluorinated phenylacetic acid

Used as an additive for perovskite solar cells, as well as a synthesis intermediate for active pharmaceutical ingredients (APIs)

Overview
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2,4,5-Trifluorophenylacetic acid (CAS number 209995-38-0) is a phenylacetic acid with three fluorine atoms substituted on the benzene ring. 2,4,5-Trifluorophenylacetic acid is applied as a bifunctional additive for stable and efficient perovskite solar cell. The carboxylic acid group within 2,4,5-trifluorophenylacetic acid interacts with the Pb cluster and passivates the deep-energy-level defects of the perovskites. This leads to an enhancement of power conversion efficiency (PCE) from 22.95% to 24.56% (device structure: FTO/TiO₂/2,4,5-Trifluorophenylacetic acid:FAI:PbI/Spiro-OMeTAD:LiTFSI:tBP/Au). Additionally, the hydrophobicity of the trifluorobenzene moiety improves the stability of the solar cell, maintaining 93.6% of its initial efficiency when stored in air for 3912 hours.

2,4,5-Trifluorophenylacetic acid is also a precursor for the synthesis of sitagliptin through a four-step reaction with an overall yield of 65%. Sitagliptin is an anti-diabetic medication for the treatment of type-2 diabetes.

Multiple functional groups

For facile synthesis

Fluorinated phenylacetic acid building block

For drug discovery, medicinal chemistry, and perovskite solar cells

Low Cost

Competitively priced, high quality product

High purity

>98% High purity

General Information

CAS Number	209995-38-0
Chemical Formula	C₈H₅F₃O₂
Full Name	(2,4,5-Trifluorophenyl)acetic acid
Molecular Weight	190.12 g/mol
Synonyms	2,4,5-Trifluorobenzeneacetic acid, 2-(2,4,5-Trifluorophenyl)acetic acid, TFPB
Classification / Family	Fluorinated building blocks, Phenylacetic acid building blocks, Perovskite solar cell additives, Solid additive, APIs

Chemical Structure

Product Details

Purity	98%
Melting Point	T_m = 121 °C – 125 °C
Appearance	White powder

MSDS Documentation

2,4,5-Trifluorophenylacetic acid MSDS Sheet

Literature and Reviews

Bifunctional trifluorophenylacetic acid additive for stable and highly efficient flexible perovskite solar cell, Y. Cao et al., InfoMat., 5, e12423 (2023); DOI: 10.1002/inf2.12423.
Mechanistic evidence for an α-oxoketene pathway in the formation of β-ketoamides/esters via Meldrum's acid adducts, F. Xu et al., J. Am. Chem. Soc., 126, 13002–13009 (2004); DOI: 10.1021/ja046488b.
Highly efficient asymmetric synthesis of sitagliptin, K. Hansen et al., J. Am. Chem. Soc., 131, 8789–8804 (2009); DOI: 10.1021/ja902462q.
Synthesis and biological evaluation of fluorinated 3-phenylcoumarin-7-O-sulfamate derivatives as steroid sulfatase inhibitors, S. Demkowicz et al., Chem. Biol. Drug Des., 87, 233–238 (2016); DOI: 10.1111/cbdd.12652.
Improved synthesis of 1-O-acyl-β-D-glucopyranose tetraacetates, Y. Chen et al., Molecules, 22, 662 (2017); DOI: 10.3390/molecules22040662.

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