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2,4-Difluorophenylacetic acid

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Products Intro: Product Name:2,4-Difluorophenylacetic acid
CAS:81228-09-3
Purity:>0.98 Package:25kg/drum Remarks:Pharmaceutical Intermediates
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CAS:81228-09-3
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CAS:81228-09-3
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Products Intro: Product Name:2,4-Difluorophenylacetic acid
CAS:81228-09-3
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CAS:81228-09-3
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2,4-Difluorophenylacetic acid manufacturers

2,4-Difluorophenylacetic acid Basic information
Product Name:2,4-Difluorophenylacetic acid
Synonyms:2,4-DIFLUOROPHENYLACETIC ACID;Benzeneacetic acid, 2,4-difluoro-;RARECHEM AL BO 0247;2,4-Difluorophenylaceticacid,99%;2,4-Difluorophenylacetic acid 97%;2,4-Difluorophenylaceticacid97%;2-(2,4-DIFLUOROPHENYL)ACETATE;2-(2,4-difluorophenyl)acetic acid
CAS:81228-09-3
MF:C8H6F2O2
MW:172.13
EINECS:279-709-4
Product Categories:Fluorine series;Phenylacetic acid;Miscellaneous;C8;Carbonyl Compounds;Carboxylic Acids;Aromatic Phenylacetic Acids and Derivatives;Phenylacetic acid series
Mol File:81228-09-3.mol
2,4-Difluorophenylacetic acid Structure
2,4-Difluorophenylacetic acid Chemical Properties
Melting point 115-118 °C (lit.)
Boiling point 219°C (rough estimate)
density 1.3010 (estimate)
storage temp. Sealed in dry,Room Temperature
solubility DMSO (Slightly), Methanol (Slightly)
pka3.98±0.10(Predicted)
form Powder
color White
BRN 3649727
InChIInChI=1S/C8H6F2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)
InChIKeyQPKZIGHNRLZBCL-UHFFFAOYSA-N
SMILESC1(CC(O)=O)=CC=C(F)C=C1F
CAS DataBase Reference81228-09-3(CAS DataBase Reference)
NIST Chemistry Reference2,4-Difluorophenylacetic acid(81228-09-3)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-37/39
WGK Germany 3
HazardClass IRRITANT
HS Code 29163990
Storage Class11 - Combustible Solids
Hazard ClassificationsEye Irrit. 2
Skin Irrit. 2
STOT SE 3
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
2,4-Difluorophenylacetic acid Usage And Synthesis
Chemical Propertieswhite powder
Uses2,4-Difluorophenylacetic acid is used in the synthesis of nonpolar peptide nucleic acid monomers containing fluoroaromatics (F-PNA).
Uses2,4-Difluorophenylacetic acid has been used in the synthesis of nonpolar peptide nucleic acid monomers containing fluoroaromatics (F-PNA).
Synthesis
2,4-Difluorobenzyl bromide

23915-07-3

2,4-Difluorophenylacetic acid

81228-09-3

(a) 25.7 g of 2,4-difluorobenzyl bromide was dissolved in 100 mL of tetrahydrofuran and slowly added dropwise over 0.5 h to a stirred suspension containing 3.0 g of magnesium chips and 30 mL of tetrahydrofuran. After the dropwise addition was completed, stirring of the reaction mixture was continued for 10 minutes. Subsequently, a steady stream of carbon dioxide was continuously passed into the resulting Grignard reagent for 1 hour. After completion of the reaction, the mixture was evaporated to dryness and the residue was partitioned with ether and dilute hydrochloric acid. The ether phase was separated and extracted with 2 N sodium hydroxide solution. The basic extract was acidified with concentrated hydrochloric acid and extracted with ether to give 5.1 g (24% yield) of crude 2,4-difluorophenylacetic acid. The crude product was dissolved directly in 25 mL of tetrahydrofuran without further purification and added slowly dropwise to a stirred mixture of 2.0 g of lithium aluminum hydride suspended in 100 mL of tetrahydrofuran.

References[1] Patent: US4649160, 1987, A
2,4-Difluorophenylacetic acid Preparation Products And Raw materials
Raw materials2,4-Difluorobenzyl bromide-->2,4-Difluorobenzeneethanol-->Magnesium-->1,3-Difluorobenzene-->Carbon dioxide-->Tetrahydrofuran
Preparation ProductsSitagliptin Defuoro IMpurity 3
Tag:2,4-Difluorophenylacetic acid(81228-09-3) Related Product Information
2,4,5-Trifluorophenylacetic acid 2,3,5-TRIFLUOROPHENYLACETIC ACID 1,2-Difluorobenzene 1,3-Difluorobenzene Iminodiacetic acid 3,4-DIFLUOROPHENYLACETIC ACID,3,4-Difluorophenylacetic acid 98% 2,5-DIFLUOROPHENYLACETIC ACID,2,5-Difluorophenylacetic acid 97% (Diacetoxyiodo)benzene 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 Methyl 3-aMino-4-(2,4,5-trifluorophenyl)butanoate 2-Pentafluorophenyl-malonic acid diethyl ester