Diethyl chloromalonate

Diethyl chloromalonate
  • CAS No.:14064-10-9
Other grades of this product :
Diethyl chloromalonate Basic information
Product Name:Diethyl chloromalonate
Synonyms:2-Chloropropanedioic Acid 1,3-Diethyl Ester;Chloropropanedioic Acid Ethyl Ester;Diethyl MonochloroMalonate;Chlorinated diethylMalonate;DIETHYL CHLOROMALONATE FOR SYNTHESIS;Diethyl chloroMalonate 95%;2-Chloro-malonic acid 1,3-diethyl ester;Chloropropanedioicaciddiethylester
CAS:14064-10-9
MF:C7H11ClO4
MW:194.61
EINECS:237-913-0
Product Categories:ester series;Aliphatics;Pharmaceutical Intermediates;TheMalonateRamificationProducts;C6 to C7;Carbonyl Compounds;Esters
Mol File:14064-10-9.mol
Diethyl chloromalonate Chemical Properties
Boiling point 279.11°C (rough estimate)
density 1.204 g/mL at 25 °C (lit.)
refractive index n20/D 1.432(lit.)
Fp >230 °F
storage temp. Inert atmosphere,2-8°C
solubility Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
pka9.07±0.46(Predicted)
form Liquid
color Clear colorless
Specific Gravity1.204
LogP2.23 at 40℃ and pH4-9
CAS DataBase Reference14064-10-9(CAS DataBase Reference)
EPA Substance Registry SystemPropanedioic acid, 2-chloro-, 1,3-diethyl ester (14064-10-9)
Safety Information
Hazard Codes C
Risk Statements 34-36/37
Safety Statements 26-27-28-36/37/39-45
RIDADR UN 3265 8/PG 2
WGK Germany 3
HazardClass 8
PackingGroup III
HS Code 29171990
MSDS Information
ProviderLanguage
Diethyl chloromalonate English
SigmaAldrich English
Diethyl chloromalonate Usage And Synthesis
Chemical PropertiesClear Colourless Liquid
UsesDiethyl chloromalonate is a compound used in the models of aquatic toxicity developed
UsesA compound used in the models of aquatic toxicity developed (QSAR). Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis.
General DescriptionDiethyl chloromalonate (Diethyl α-chloromalonate) is a 2-halo-1,3-dicarbonyl compound. It participates in K2CO3-catalyzed domino reactions (Michael alkylation, Mannich alkylation, and aldol alkylation) of salicylic aldehyde derivatives to afford functionalized 2,3-dihydrobenzofurans. It reacts with Cs2CO3 in the presence of elemental S8 or Sen to afford the corresponding diethyl thioxo- or selenoxomalonates, which can be trapped in situ with various 1,3-dienes.

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