ChemicalBook >> CAS DataBase List >>2,4,5-Trifluorophenylacetic acid

2,4,5-Trifluorophenylacetic acid

CAS No.
209995-38-0
Chemical Name:
2,4,5-Trifluorophenylacetic acid
Synonyms
2,4,5-Trifluoropheny;2,4,5-Trifluorophenylacetic acid ,99%;RETAG-001;RARECHEM AL BO 0510;2,4,5-Trifluoropheny245;Trifluorophenylacetic Aci;trifluorophenylacetic acid;5-Trifluorophenylacetic acid;2,4,5-trifluoropheylacetic acid;2,4,5-trfluorophenylacetic acid
CBNumber:
CB6283207
Molecular Formula:
C8H5F3O2
Molecular Weight:
190.12
MDL Number:
MFCD00082479
MOL File:
209995-38-0.mol
MSDS File:
SDS
Last updated:2024-01-22 16:43:48

2,4,5-Trifluorophenylacetic acid Properties

Melting point 121-125 °C
Boiling point 255.0±35.0 °C(Predicted)
Density 1.468±0.06 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature
solubility Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form Solid
pka 3.78±0.10(Predicted)
color White to Off-White
InChI InChI=1S/C8H5F3O2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13)
InChIKey YSQLGGQUQDTBSL-UHFFFAOYSA-N
SMILES C1(CC(O)=O)=CC(F)=C(F)C=C1F
CAS DataBase Reference 209995-38-0(CAS DataBase Reference)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictogramsGHS hazard pictograms
GHS05,GHS07
Signal word  Danger
Hazard statements  H315-H318-H335
Precautionary statements  P280-P302+P352-P305+P351+P338+P310
Hazard Codes  Xi
Risk Statements  37/38-41
Safety Statements  26-39
WGK Germany  3
HazardClass  IRRITANT
HS Code  29163990
NFPA 704
0
2 0

2,4,5-Trifluorophenylacetic acid price More Price(24)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 684155 2,4,5-Trifluorophenylacetic acid 97% 209995-38-0 1g $30.64 2024-03-01 Buy
Sigma-Aldrich 684155 2,4,5-Trifluorophenylacetic acid 97% 209995-38-0 5g $99.1 2024-03-01 Buy
TCI Chemical T2407 2,4,5-Trifluorophenylacetic Acid >98.0%(GC)(T) 209995-38-0 5g $69 2024-03-01 Buy
Alfa Aesar H26190 2,4,5-Trifluorophenylacetic acid, 94% 209995-38-0 1g $48.65 2024-03-01 Buy
Alfa Aesar H26190 2,4,5-Trifluorophenylacetic acid, 94% 209995-38-0 5g $146.65 2024-03-01 Buy
Product number Packaging Price Buy
684155 1g $30.64 Buy
684155 5g $99.1 Buy
T2407 5g $69 Buy
H26190 1g $48.65 Buy
H26190 5g $146.65 Buy

2,4,5-Trifluorophenylacetic acid Chemical Properties,Uses,Production

Description

2,4,5-Trifluorophenylacetic acid is a fluorophenylacetic acid, which is a valuable intermediate for preparing various pharmacologically active compounds. In particular, trifluorophenylacetic acids are used to prepare inhibitors of the dipeptidyl peptidase-4 enzyme. These medicines are helpful in treating diabetes, in particular type 2 diabetes. One of these active ingredients is Sitagliptin, available commercially under the brand name Januvia, which uses 2,4,5-trifluorophenylacetic acid as a critical intermediate for its synthesis.

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%
synthesis of 2,4,5-trifluorophenylacetic acid

773837-37-9
75-09-2
367-23-7
209995-38-0
Synthesis of 2,4,5-Trifluorophenylacetic acid from sodium:cyanide and Dichloromethane and 1,2,4-Trifluorobenzene
Global( 543)Suppliers
Supplier Tel Email Country ProdList Advantage
Jiangxi Huihe Chemical Co., Ltd.
+86-19189228086 +8618858568638 wuzhouding@huihecrop.com China 886 58
Shanghai Xinchem Co., Ltd.
+86-021-34123252 +8618049800532 xinchem@xinchem.com China 49 58
Wuhan BJM Pharm Inc
+86-027-5234-1919 +8613545198479 sales03@benjaminpharmchem.com China 667 58
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Shanghai Daken Advanced Materials Co.,Ltd
+86-371-66670886 info@dakenam.com China 14936 58
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010-60279497 sales01@cooperate-pharm.com CHINA 1811 55
Hi-Tech Chemistry Corp
0519-86626038 yuhh@hitechem.com CHINA 811 58

View Lastest Price from 2,4,5-Trifluorophenylacetic acid manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
2,4,5-Trifluorophenylacetic acid pictures 2024-01-22 2,4,5-Trifluorophenylacetic acid
209995-38-0
US $8.00-0.80 / KG 1KG 99% g-kg-tons, free sample is available Henan Fengda Chemical Co., Ltd
2,4,5-Trifluorophenylacetic acid pictures 2024-01-12 2,4,5-Trifluorophenylacetic acid
209995-38-0
US $1.00 / mg 1mg 0.99 5ton/month ANHUI SHENGZHIKAI BIOTECHNOLOGY CO.,LTD
2,4,5-Trifluorophenylacetic acid pictures 2024-01-02 2,4,5-Trifluorophenylacetic acid
209995-38-0
US $0.00-0.00 / kg 1kg 98% 1 ton Nanjing Fred Technology Co., Ltd
RARECHEM AL BO 0510 2,4,5-TRIFLUOROPHENYLACETIC ACID 2,4,5-Trifluorophenylaceticacid97% Two, four, five, three fluorine benzene acetic acid Benzeneaceticacid,2,4,5-trifluoro- Trifluorophenylacetic Aci 2,4,5-trifluoropheylacetic acid 5-Trifluorophenylacetic acid 2, 4, 5-Trifluorobenzeneacetic acid trifluorophenylacetic acid 2-(3,4-difluorophenyl)-2-fluoroacetic acid 2,4,5-Trifluorophenylacetic acid (Sitagliptin) 2,4,5-trifiuorophenylacetic acid 2,4,5-triflouorophenyl acetic acid RETAG-001 2,4,5-Trifluoropheny245 2,4,5-Trifluorophenylacetic acid ISO 9001:2015 REACH 2-(2,4,5-trifluorophenyl)acetic acid(209995-38-0) 2,4,5-Trifluorophenylacetic acid ,99% 2,4,5-Trifluoropheny 2-(2,4,5-trifluorophenyl)aceticaci 2,4,5-trfluorophenylacetic acid 2,4,5-trifluorophenylacetic acid,TFPAA 2,4,5-Trifluorophenylacetic Acid 2,4,5-Trifluorophenylacetic Acid 209995-38-0 20995-38-0 C8H5F3NO2 Acetics acid and esters Benzene series Phenylacetic acid Miscellaneous C8 Carbonyl Compounds Carboxylic Acids