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209995-38-0

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209995-38-0 Usage

Chemical Properties

White to light brown solid

Uses

2,4,5-Trifluorobenzeneacetic Acid is used in the synthesis of EGFR/ErbB-2-kinase inhibitors. Also used in the synthesis of new imidazopyrazinone derivatives as potnetial dipeptidyl peptidase IV inhibitors.

Application

2,4,5-Trifluorophenylacetic acid is used to synthesize the intermediate of sitagliptin, a new drug for the treatment of type II diabetes. sitagliptin is a dipeptidyl peptidase-4 (DPP-4) inhibitor newly launched by Merck. It has good curative effect, small side effects, good safety and tolerance in treating type II diabetes.

Preparation

synthesis of 2,4,5-trifluorophenylacetic acid: A 100 mL flask was charged 10.0 g of 2,4,5-trifluoromandelic acid, 23.9 g of H3PO3 (6 eq.), 0.73 g of Nal (0.1 eq.) and 0.47 g (0.10 eq.) of MSA. The obtained mixture was stirred at 95-105°C for 24 hrs. Once the conversion is completed (by HPLC; conversion > 99%, typically achieved after 24 hours), the mixture is cooled to room temperature, and 20 mL of methyl tert-butyl ether were added and then 20 mL of water where added. The obtained mixture was stirred for 5 min, then the organic layers were separated. Then 10 mL of methyl tert-butyl ether was added to the aqueous layers, stirred for 5 min, then the phase were separated. The organic layers were combined. The combined organic layers were concentrated under vacuum at 35°C, to provide crude 2,4,5-trifluorophenylacetic acid(TFPAA). To the obtained crude TFPAA was recrystallized from toluene, to obtain TFPAA, as a white crystals, 6.4 g, molar yield 69.5%, chemical purity of HPLC 99.47% A/A%

Check Digit Verification of cas no

The CAS Registry Mumber 209995-38-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,0,9,9,9 and 5 respectively; the second part has 2 digits, 3 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 209995-38:
(8*2)+(7*0)+(6*9)+(5*9)+(4*9)+(3*5)+(2*3)+(1*8)=180
180 % 10 = 0
So 209995-38-0 is a valid CAS Registry Number.
InChI:InChI=1/C8H5F3O2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13)

209995-38-0 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
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  • Price
  • Detail
  • Alfa Aesar

  • (H26190)  2,4,5-Trifluorophenylacetic acid, 94%   

  • 209995-38-0

  • 1g

  • 569.0CNY

  • Detail
  • Alfa Aesar

  • (H26190)  2,4,5-Trifluorophenylacetic acid, 94%   

  • 209995-38-0

  • 5g

  • 1754.0CNY

  • Detail

209995-38-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(2,4,5-trifluorophenyl)acetic acid

1.2 Other means of identification

Product number -
Other names 2,4,5-triflurophenyl acetic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:209995-38-0 SDS

209995-38-0Relevant articles and documents

Industrial preparation method of 2,4,5-trifluorophenylacetic acid

-

, (2021/03/11)

The invention relates to the technical field of preparation of chemical drug intermediates, and particularly discloses an industrial preparation method of 2,4,5-trifluorophenylacetic acid. The preparation method comprises the following steps: carrying out a nitration reaction, a fluorination reaction, a hydrogenation reduction reaction, a diazotization reaction, a halogenation reaction, a cyaniding reaction, a thermal decomposition reaction and a hydrolysis reaction on 2,4-dichlorotoluene to prepare the 2,4,5-trifluorophenylacetic acid. The method has the advantages of low preparation cost andhigh product yield.

Novel preparation method of 2, 4, 5-trifluorophenylacetic acid

-

Paragraph 0037; 0075; 0088-0089; 0097-0100; 0102-0103; ..., (2021/06/23)

The invention discloses a novel preparation method of 2, 4, 5-trifluorophenylacetic acid, which belongs to the technical field of preparation of medical intermediates, and comprises the following preparation steps: carrying out nitration reaction on sulfuric acid and m-dichlorobenzene to obtain an intermediate II; adding the intermediate II, a phase transfer catalyst and potassium fluoride into an aprotic solvent to obtain an intermediate III; performing hydrogenation reaction on the intermediate III to obtain an intermediate IV; carrying out diazotization reaction on the intermediate IV, nitrosyl sulfuric acid and sodium fluoborate to obtain an intermediate V; performing cracking reaction on the intermediate V to obtain an intermediate VI; carrying out reduction reaction on the intermediate VI, and then carrying out bromination reaction on the intermediate VI and liquid bromine to obtain an intermediate VII; subjecting the intermediate VII to a substitution reaction with diethyl malonate, and obtaining 2, 4, 5-trifluorophenylacetic acid after hydrolysis and purification. A novel synthesis route is provided, the problem that technological operation is tedious is solved, the requirements for reaction and operation conditions are low, anhydrous and oxygen-free reaction conditions are not needed, the method is suitable for industrial production, and the yield and purity are greatly improved.

Hydrogen Bond Directed Photocatalytic Hydrodefluorination and Methods of Use Thereof

-

, (2021/01/22)

Methods of synthesizing compounds comprising fluorinated aryl groups are disclosed, wherein said methods utilize hydrogen bond directed photocatalytic hydrodefluorination.

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