Diethyl butylmalonate

Diethyl butylmalonate Basic information
Synthesis
Product Name:Diethyl butylmalonate
Synonyms:BMDE;BUTYLMALONIC ACID DIETHYL ESTER;ETHYL BUTYLMALONATE;DIETHYL N-BUTYLMALONATE;DIETHYL BUTYLMALONATE;LABOTEST-BB LTBB001318;N-BUTYL DIETHYL MALONATE;N-BUTYLMALONIC ACID DIETHYL ESTER
CAS:133-08-4
MF:C11H20O4
MW:216.27
EINECS:205-089-1
Product Categories:TheMalonateRamificationProducts;Pharmaceutical Intermediates;C10 to C11;Carbonyl Compounds;Esters
Mol File:133-08-4.mol
Diethyl butylmalonate Structure
Diethyl butylmalonate Chemical Properties
Melting point 238 °C
Boiling point 235-240 °C (lit.)
density 0.983 g/mL at 25 °C (lit.)
vapor pressure 1Pa at 20℃
refractive index n20/D 1.422(lit.)
Fp 201 °F
storage temp. Sealed in dry,Room Temperature
solubility DMSO : 100 mg/mL (462.38 mM; Need ultrasonic)|
pka13.47±0.46(Predicted)
form clear liquid
color Colorless to Almost colorless
Specific Gravity0.975 (20/4℃)
Water Solubility 330mg/L at 20℃
Merck 14,1576
BRN 608785
LogP3.4 at 23℃
CAS DataBase Reference133-08-4(CAS DataBase Reference)
NIST Chemistry ReferenceDiethyl butylmalonate(133-08-4)
Safety Information
Safety Statements 24/25
WGK Germany 1
HS Code 29171990
MSDS Information
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Diethyl n-butylmalonate English
SigmaAldrich English
ACROS English
ALFA English
Diethyl butylmalonate Usage And Synthesis
SynthesisDiethyl malonate is mixed with sodium ethoxide, and then chlorobutane is added to form the reaction. The crude product is separated and recovered ethanol, washed and dehydrated to obtain Diethyl butylmalonate.
Chemical PropertiesCLEAR COLOURLESS LIQUID
UsesDiethyl butylmalonate is used as a reagent in the synthesis of 2,5-dihydropyrrole formyl hydroxyamino derivatives as peptide deformylase inhibitors against drug-resistant bacteria.
Synthesis Reference(s)Organic Syntheses, Coll. Vol. 1, p. 250, 1941
The Journal of Organic Chemistry, 44, p. 3492, 1979 DOI: 10.1021/jo01334a009
General DescriptionDiethyl malonate (DEM) undergoes alkylation by ethyliodide, which is used to study the phase transfer catalysis (PTC) technique.
Flammability and ExplosibilityNotclassified
Pregnenolone acetate N-(n-Butyl)thiophosphoric triamide 1R-trans-methyl caronaldehydate Methyl 3-oxohexanoate D-Phenothrin Diisopropyl malonate DIETHYL DIPENTYLMALONATE Diethyl dibutylmalonate Diethyl isoamylmalonate DIETHYL N-HEXADECYLMALONATE 2-AMINODIETHYLMALONATE Diethyl ethyl(isoamyl)malonate DIETHYL DIHEPTYLMALONATE DIETHYL 2-HEPTYLMALONATE BIS[(12-CROWN-4)METHYL] DODECYLMETHYLMALONATE Butylmalonic acid Mefenpyr-diethyl DIETHYL PENTYLMALONATE

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