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
- MOL File:
- 209995-38-0.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/6/4 15:29:52
| 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) |   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 |
|
2,4,5-Trifluorophenylacetic acid price More Price(3)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| ALFA India | ALF-H26190-06 | 2,4,5-Trifluorophenylacetic acid, 94% | 209995-38-0 | 5g | ₹17818 | 2022-05-26 | Buy |
| ALFA India | ALF-H26190-03 | 2,4,5-Trifluorophenylacetic acid, 94% | 209995-38-0 | 1g | ₹4680 | 2022-05-26 | Buy |
| TCI Chemicals (India) | T2407 | 2,4,5-Trifluorophenylacetic Acid min. 98.0 % | 209995-38-0 | 5G | ₹12000 | 2022-05-26 | 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%
2,4,5-Trifluorophenylacetic acid Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| BTC pharm India | +918790379245 | AndhraPradesh, India | 1269 | 58 | Inquiry |
| ANUPAM RASAYAN INDIA LTD. | +91-261239899195 +91-261239899195 | Gujarat, India | 27 | 58 | Inquiry |
| SPC LIFESCIENCES PVT. LTD | +91-91-265-2658894 +91-9998016172 | Gujarat, India | 48 | 58 | Inquiry |
| JSK Chemicals | +919879767970 | Gujarat, India | 3756 | 58 | Inquiry |
| KARPSCHEM LABORATORIES | +91-7249203006 +91-7249203006 | Maharashtra, India | 786 | 58 | Inquiry |
| SRF Limited | +91-9810617574 +91-9650533660 | Haryana, India | 40 | 58 | Inquiry |
| TCI Chemicals (India) Pvt. Ltd. | 1800 425 7889 | New Delhi, India | 6778 | 58 | Inquiry |
| Alfa Aesar | 1 800 209 7001 | Maharashtra, India | 6913 | 58 | Inquiry |
| CHEMSWORTH | +91-261-2397244 | New Delhi, India | 6707 | 30 | Inquiry |
| A.J Chemicals | 91-9810153283 | New Delhi, India | 6124 | 58 | Inquiry |
| Supplier | Advantage |
|---|---|
| BTC pharm India | 58 |
| ANUPAM RASAYAN INDIA LTD. | 58 |
| SPC LIFESCIENCES PVT. LTD | 58 |
| JSK Chemicals | 58 |
| KARPSCHEM LABORATORIES | 58 |
| SRF Limited | 58 |
| TCI Chemicals (India) Pvt. Ltd. | 58 |
| Alfa Aesar | 58 |
| CHEMSWORTH | 30 |
| A.J Chemicals | 58 |
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