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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Safety

Hazard Codes 
Xi
Risk Statements 
37/38-41
Safety Statements 
26-39
WGK Germany 
3
HazardClass 
IRRITANT
HS Code 
29163990
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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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2,4,5-Trifluorophenylacetic acid Suppliers

AnHui HaiKang Pharmaceutical Co., Ltd.
Tel
0556-5800026 17709662922
Email
melrose@worldpharma.cn
Country
China
ProdList
247
Advantage
55
Anhui DIHE Yongxin Pharmaceutical Co., Ltd.
Tel
0556-05565590630
Email
wangqi@desano.com
Country
China
ProdList
310
Advantage
58
JOYCHINE BIO-TECH
Tel
18680818008
Email
18680818008@163.com
Country
China
ProdList
36
Advantage
58
Ningbo Zhenlei Chemical Co.,ltd.
Tel
0576-88808091 13958565781
Fax
+0576-88203603
Email
shuang.lin@zhenleichem.com
Country
China
ProdList
89
Advantage
58
Zhejiang Jiuzhou Pharmaceutical Co., Ltd
Tel
13566413511
Email
le.sun@jiuzhoupharma.com
Country
China
ProdList
31
Advantage
58
Shanghai Fengji Pharmaceutical Technology Co., Ltd
Tel
15555063509
Email
153666767@qq.com
Country
China
ProdList
2751
Advantage
58
J & K SCIENTIFIC LTD.
Tel
010-82848833 400-666-7788
Fax
86-10-82849933
Email
jkinfo@jkchemical.com
Country
China
ProdList
96815
Advantage
76
Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel
021-61259108 18621169109
Fax
86-21-61259102
Email
market03@meryer.com
Country
China
ProdList
40228
Advantage
62
INTATRADE GmbH
Tel
+49 3493/605464
Fax
+49 3493/605470
Email
sales@intatrade.de
Country
Germany
ProdList
3572
Advantage
66
Alfa Aesar
Tel
400-6106006
Fax
021-67582001/03/05
Email
saleschina@alfa-asia.com
Country
China
ProdList
30123
Advantage
84
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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
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
Hebei Chuanghai Biotechnology Co,.LTD
Product
2,4,5-Trifluorophenylacetic acid 209995-38-0
Price
US $1.90/KG
Min. Order
1KG
Purity
99%
Supply Ability
10 ton
Release date
2024-08-20

209995-38-0, 2,4,5-Trifluorophenylacetic acidRelated Search:


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  • 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-(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