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Diethyl fluoromalonate

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Products Intro: Product Name:diethyl fluoromalonate
CAS:685-88-1
Purity:0.99
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Products Intro: Product Name:Diethyl fluoromalonate
CAS:685-88-1
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Products Intro: Product Name:Diethyl fluoromalonate
CAS:685-88-1
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Products Intro: Product Name:2-Fluoro-malonic acid diethyl ester
CAS:685-88-1
Purity:98% (Min,GC) Package:100g;1kg;5kg,10kg,25kg,50kg
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Products Intro: Product Name:Diethyl fluoromalonate
CAS:685-88-1
Purity:99% Package:1KG,5KG,10KG

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Diethyl fluoromalonate Basic information
Product Name:Diethyl fluoromalonate
Synonyms:Diethyl 2-fluoropropane-1,3-dioate;1,2-Difluoromalonate;1,3-diethyl 2-fluoropropanedioate;diethyl 2-fluoropropanedioate;Propanedio;diethylfluoropropanedioate;Ethyl fluoromalonate;fluoro-malonicacidiethylester
CAS:685-88-1
MF:C7H11FO4
MW:178.16
EINECS:211-684-7
Product Categories:Alkyl Fluorinated Building Blocks;Building Blocks;C6 to C7;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks;Organic Fluorinated Building Blocks;Other Fluorinated Organic Building Blocks;Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds;Synthetic Organic Chemistry;C6 to C7;Carbonyl Compounds;Esters;Fluorinated Building Blocks;Small molecule
Mol File:685-88-1.mol
Diethyl fluoromalonate Structure
Diethyl fluoromalonate Chemical Properties
Boiling point 121-122 °C30 mm Hg(lit.)
density 1.129 g/mL at 25 °C(lit.)
refractive index n20/D 1.407(lit.)
Fp 144 °F
storage temp. under inert gas (nitrogen or Argon) at 2-8°C
pka10.40±0.46(Predicted)
form Liquid
color Clear colorless to pale yellow
Specific Gravity1.129
BRN 1775686
InChIInChI=1S/C7H11FO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3
InChIKeyGOWQBFVDZPZZFA-UHFFFAOYSA-N
SMILESC(OCC)(=O)C(F)C(OCC)=O
CAS DataBase Reference685-88-1(CAS DataBase Reference)
NIST Chemistry ReferenceDiethyl fluoromalonate(685-88-1)
Safety Information
Hazard Codes C,T
Risk Statements 34
Safety Statements 26-36/37/39-45-25-27
RIDADR UN 3265 8/PG 2
WGK Germany 3
RTECS OO1670000
19
Hazard Note Corrosive
HazardClass 8
PackingGroup III
HS Code 29171900
Storage Class8A - Combustible corrosive hazardous materials
Hazard ClassificationsSkin Corr. 1B
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
Diethyl fluoromalonate Usage And Synthesis
Chemical PropertiesCLEAR COLOURLESS TO PALE YELLOW LIQUID
UsesThe kinetic parameters of diethyl fluoromalonate in hemolysates were used to study carboxylesterase activities in complex systems.
General DescriptionThe reaction of diethyl fluoromalonate with electron-poor and electron-rich, sterically hindered and unhindered aryl bromides and chlorides were studied.
Synthesis

In a 250m1 round bottom flask, 5g of sodium carbonate, 10g of cobalt octacarbonyl, 72ml (57g, 1. 25mol) of ethanol and 53ml (61g, 0. 5mol) of ethyl chloroacetate were added, and CO2 was passed through the gas at a flow rate of 50m1/min for 6h, and the reaction was completed. To the system was added 5 m1 of concentrated sulfuric acid, shaken for 15 min, and then distilled under reduced pressure to collect the 80C/4 mmHg fraction. Add 60ml of water to the distillate, adjust the pH to 0.3 with concentrated sulfuric acid, vibrate, separate the organic layer, and then carry out decompression distillation to collect 80C/ 4mmHg fraction, obtaining diethyl malonate 66~69ml (69.6g ~ 72.8g), the yield was about 87% ~ 91%.

16.0g(0.1mol) diethyl malonate and 47.0g(0.12mol) HTIB were added to an aluminum container, and heated by irradiation for 3min in a 700W microwave oven, cooled, and 19.0g of MgCl was added, and heated by irradiation for 2min, cooled, and extracted with 50ml of CH,Cl2 for two times, dried with anhydrous magnesium sulfate, and evaporated to remove the CH2Cl2 to obtain Diethyl chloromalonate. Diethyl chloromalonate 15.7g, yield 81%.

Diethyl fluoromalonate Preparation Products And Raw materials
Preparation Products2-fluoroMalonaMide
Tag:Diethyl fluoromalonate(685-88-1) Related Product Information
2-AMINODIETHYLMALONATE Diisopropyl malonate Mefenpyr-diethyl Ethyl hydrogen malonate Diethyl methylmalonate Diethyl carbonate Ethyl bromodifluoroacetate Diethyl phthalate DIETHYL BROMOMALONATE Diethyl chloromalonate Diethyl malonate Diethyl ether Malonic acid DIETHYL 2-BROMO-2-FLUORO-MALONATE Diethyl 2,2-difluoromalonate 2-FLUORO-2-METHANESULFONYLOXYMETHYL-MALONIC ACID DIETHYL ESTER DIETHYL 2-FLUORO-2-METHYL-MALONATE Diethyl fluoromalonate