Diethyl chloromalonate 14064-10-9

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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) pka 9.07±0.46(Predicted) form  Liquid color  Clear colorless Specific Gravity 1.204 InChI InChI=1S/C7H11ClO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3 InChIKey WLWCQKMQYZFTDR-UHFFFAOYSA-N SMILES C(OCC)(=O)C(Cl)C(OCC)=O LogP 2.23 at 40℃ and pH4-9 CAS DataBase Reference 14064-10-9(CAS DataBase Reference) EPA Substance Registry System Propanedioic 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 Diethyl chloromalonate Usage And Synthesis Chemical Properties Clear Colourless Liquid Uses Diethyl chloromalonate is a compound used in the models of aquatic toxicity developed Uses A compound used in the models of aquatic toxicity developed (QSAR). Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis. General Description Diethyl 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. Diethyl chloromalonate Preparation Products And Raw materials Raw materials Ethanol-->Dichloromethane-->Sodium bicarbonate-->Chlorine-->Sodium sulfite-->Sodium hypochlorite-->Diethyl malonate-->Sulfuryl chloride-->diethyl dichloromalonate-->Methanesulfinic acid, 1,1,1-trifluoro--->DIETHYL ETHYLCHLOROMALONATE Preparation Products 2-chloropropane-1,3-diol



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