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
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 |
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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 |
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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 |
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 | |
---|---|---|---|---|---|
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 | 688 | 58 |
Shenzhen Nexconn Pharmatechs Ltd | +86-755-89396905 +86-15013857715 | admin@nexconn.com | China | 10311 | 58 |
Hebei Chuanghai Biotechnology Co,.LTD | +86-13131129325 | sales1@chuanghaibio.com | China | 5895 | 58 |
Shannxi Bosen Medical Technology Co.,Ltd | 15591899801 | chenxuan@sxbsylkjwwgc999.onexmail.com | China | 3 | 58 |
Shaanxi Haibo Biotechnology Co., Ltd | +undefined18602966907 | qinhe02@xaltbio.com | China | 1000 | 58 |
Henan Fengda Chemical Co., Ltd | +86-371-86557731 +86-13613820652 | info@fdachem.com | China | 20291 | 58 |
Hebei Zhuanglai Chemical Trading Co.,Ltd | +8613343047651 | admin@zlchemi.com | China | 3002 | 58 |
Hebei Mojin Biotechnology Co.,Ltd | +86-15028179902 | angelia@hbmojin.com | China | 1139 | 58 |
View Lastest Price from 2,4,5-Trifluorophenylacetic acid manufacturers
Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
---|---|---|---|---|---|---|---|---|
2024-09-27 | 2,4,5-Trifluorophenylacetic acid
209995-38-0
|
US $0.00-0.00 / kg | 1kg | 98% | 1 ton | Nanjing Fred Technology Co., Ltd | ||
2024-09-26 | 2,4,5-Trifluorophenylacetic acid
209995-38-0
|
US $1.90 / KG | 1KG | 99% | 10 ton | Hebei Chuanghai Biotechnology Co,.LTD | ||
2024-08-24 | 2,4,5-Trifluorophenylacetic acid
209995-38-0
|
US $0.00 / kg | 1kg | 99% | 50000KG/month | Hebei Mojin Biotechnology Co.,Ltd |
- 2,4,5-Trifluorophenylacetic acid
209995-38-0
- US $0.00-0.00 / kg
- 98%
- Nanjing Fred Technology Co., Ltd
- 2,4,5-Trifluorophenylacetic acid
209995-38-0
- US $1.90 / KG
- 99%
- Hebei Chuanghai Biotechnology Co,.LTD
- 2,4,5-Trifluorophenylacetic acid
209995-38-0
- US $0.00 / kg
- 99%
- Hebei Mojin Biotechnology Co.,Ltd
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