Name | Diethyl allylmalonate |
Synonyms | Diethyl allyl Allyldiethylmalonate Diethyl allylmalonate Allylmalonic acid diethyl Allylmalonic acid diethyl ester diethyl prop-2-en-1-ylpropanedioate 2-Propenylmalonic acid diethyl ester 2-propenyl-propanedioicacidiethylester Diethyl 2-(2-propenyl)-1,3-propanedioate 3-Butene-1,1-dicarboxylic acid diethyl ester |
CAS | 2049-80-1 |
EINECS | 218-072-9 |
InChI | InChI=1/C10H16O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h4,8H,1,5-7H2,2-3H3 |
Molecular Formula | C10H16O4 |
Molar Mass | 200.23 |
Density | 1.015g/mLat 25°C(lit.) |
Boling Point | 222-223°C(lit.) |
Flash Point | 160°F |
Water Solubility | Not miscible or difficult to mix with water. |
Vapor Presure | 0.101mmHg at 25°C |
Appearance | Liquid |
Color | Clear colorless to slightly yellow |
BRN | 1709466 |
pKa | 12.63±0.46(Predicted) |
Storage Condition | Store below +30°C. |
Refractive Index | n20/D 1.431(lit.) |
Use | Used as raw materials for medicine and pesticide intermediates |
Hazard Symbols | Xi - Irritant |
Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
UN IDs | NA 1993 / PGIII |
WGK Germany | 3 |
TSCA | Yes |
HS Code | 29171990 |
NIST chemical information | information provided by: webbook.nist.gov (external link) |
EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
Application | diethyl allyl malonate is an organic intermediate obtained by reacting diethyl malonate with allyl bromide. It has been reported that it can be used to prepare an insecticide for Anopheles sinensis. |
preparation | under a nitrogen atmosphere, add diethyl malonate (20g) to a 500 mL three-necked round bottom flask, anhydrous potassium carbonate (43g) and anhydrous CH3CN(200). The reaction mixture was stirred at room temperature for 10 minutes and then allyl bromide (23g) was slowly added to the reaction mixture at room temperature. The reaction mixture was heated to 80 °c for 24 hours. The reaction mixture was cooled to room temperature and filtered through a Celite bed. The Celite bed was washed with acetonitrile (100ml) and the combined filtrates were concentrated to give diethyl allylmalonate (24g) as a colorless liquid. |
Use | use as raw material and pesticide intermediate in medicine use as raw material and pesticide intermediate in medicine. |