ChemicalBook > CAS DataBase List > 2,4,5-Trifluorophenylacetic acid
2,4,5-Trifluorophenylacetic acid
- Product Name
- 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
- Formula Weight
- 190.12
- MOL File
- 209995-38-0.mol
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2,4,5-Trifluorophenylacetic acid Property
- 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)
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Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H315Causes skin irritation
H318Causes serious eye damage
H335May cause respiratory irritation
- Precautionary statements
-
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
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N-Bromosuccinimide Price
Sigma-Aldrich
- Product number
- 684155
- Product name
- 2,4,5-Trifluorophenylacetic acid
- Purity
- 97%
- Packaging
- 1g
- Price
- $30.64
- Updated
- 2024/03/01
Sigma-Aldrich
- Product number
- 684155
- Product name
- 2,4,5-Trifluorophenylacetic acid
- Purity
- 97%
- Packaging
- 5g
- Price
- $99.1
- Updated
- 2024/03/01
TCI Chemical
- Product number
- T2407
- Product name
- 2,4,5-Trifluorophenylacetic Acid
- Purity
- >98.0%(GC)(T)
- Packaging
- 5g
- Price
- $69
- Updated
- 2024/03/01
Alfa Aesar
- Product number
- H26190
- Product name
- 2,4,5-Trifluorophenylacetic acid, 94%
- Packaging
- 1g
- Price
- $48.65
- Updated
- 2024/03/01
Alfa Aesar
- Product number
- H26190
- Product name
- 2,4,5-Trifluorophenylacetic acid, 94%
- Packaging
- 5g
- Price
- $146.65
- Updated
- 2024/03/01
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2,4,5-Trifluorophenylacetic acid Chemical Properties,Usage,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%
2,4,5-Trifluorophenylacetic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 2,4,5-Trifluorophenylacetic acid manufacturers
Hebei Zhuanglai Chemical Trading Co.,Ltd
- Product
- 2,4,5-Trifluorophenylacetic acid 209995-38-0
- Price
- US $65.00-20.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 20ton
- Release date
- 2024-06-04
Hebei Guanlang Biotechnology Co., Ltd.
- Product
- 2,4,5-Trifluorophenylacetic acid 209995-38-0
- Price
- US $10.00/KG
- Min. Order
- 100KG
- Purity
- 99%
- Supply Ability
- 100 mt
- Release date
- 2021-08-18
Nanjing Fred Technology Co., Ltd
- Product
- 2,4,5-Trifluorophenylacetic acid 209995-38-0
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1 ton
- Release date
- 2024-01-02
209995-38-0, 2,4,5-Trifluorophenylacetic acidRelated Search:
Nitrilotriacetic acid
1,3,5-Trifluorobenzene
Trimethyl orthoacetate
Ethyl trifluoroacetate
Glycyl-glycyl-glycine
Triphenyltin acetate
Trifluoroacetic acid
Trifluoroacetic anhydride
2,3,5-TRIFLUOROPHENYLACETIC ACID
2,2-Dimethyl-1,3-dioxane-4,6-dione
Methyl 3-Oxo-4-(2,4,5-trifluorophenyl)butanoate
Sitagliptin
Benzenebutanoicacid,b-[[(1,1-diMethylethoxy)carbonyl]aMino]-2,4,5-trifluoro-,Methylester,(bR)-
(R)-methyl 3-acetamido-4-(2,4,5-trifluorophenyl)butanoate
2,4,5-TRIFLUOROBENZYL CHLORIDE
Sitagliptin Impurity 34
2-CHLOROMETHYL-5-TRIFLUOROMETHYL-[1,3,4]OXADIAZOLE
ethyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate