| Identification | More | [Name]
Diethyl allylmalonate | [CAS]
2049-80-1 | [Synonyms]
ALLYLDIETHYLMALONATE
ALLYLMALONIC ACID DIETHYL ESTER
DIETHYL 2-ALLYLMALONATE
DIETHYL ALLYLMALONATE
ETHYL ALLYLMALONATE
2-propenyl-propanedioicacidiethylester
Diethyl 2-(2-propenyl)-1,3-propanedioate
Diethyl 2-(prop-2-enyl)malonate
Diethyl prop-2-enylpropanedioate
Malonic acid, allyl-, diethyl ester
Mono-allyldiethyl malonate
prop-2-enyl-propanedioicaciddiethylester
2-allyl-malonic acid diethyl ester
2-propenyl-propanedioic acid diethyl ester
Diethyl allylmalonate, 98+%
Diethyl 2-propenylmalonate
Propanedioic acid, 2-propenyl-, diethyl ester
2-Allylmalonic acid diethyl
2-Propenylmalonic acid diethyl ester
3-Butene-1,1-dicarboxylic acid diethyl ester | [EINECS(EC#)]
218-072-9 | [Molecular Formula]
C10H16O4 | [MDL Number]
MFCD00009155 | [Molecular Weight]
200.23 | [MOL File]
2049-80-1.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to slightly yellow liquid | [Boiling point ]
222-223 °C(lit.)
| [density ]
1.015 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.431(lit.)
| [Fp ]
160 °F
| [storage temp. ]
Store below +30°C. | [form ]
Liquid | [pka]
12.63±0.46(Predicted) | [color ]
Clear colorless to slightly yellow | [Water Solubility ]
Not miscible or difficult to mix with water. | [BRN ]
1709466 | [InChI]
1S/C10H16O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h4,8H,1,5-7H2,2-3H3 | [InChIKey]
GDWAYKGILJJNBB-UHFFFAOYSA-N | [SMILES]
CCOC(=O)C(CC=C)C(=O)OCC | [LogP]
1.990 (est) | [CAS DataBase Reference]
2049-80-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Propanedioic acid, 2-propenyl-, diethyl ester(2049-80-1) | [EPA Substance Registry System]
2049-80-1(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
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 . | [RIDADR ]
NA 1993 / PGIII | [WGK Germany ]
3
| [TSCA ]
Yes | [HS Code ]
29171990 | [Storage Class]
10 - Combustible liquids |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless to slightly yellow liquid | [Uses]
Diethyl allylmalonate is an important intermediates in syntheses of vitamins B1 and B6, barbiturates, non-steroidal anti-inflammatory agents, other numerous pharmaceuticals, agrochemicals and flavors and fragrances compounds. | [Preparation]
Diethyl allyl malonate is obtained by reacting diethyl malonate with allyl bromide.
Under nitrogen atmosphere, to a 500 mL three-neck round bottom flask was added diethyl malonate (20 g), anhydrous potassium carbonate (43 g) and anhydrous CH3CN (200 mL). The reaction mixture was stirred at room temperature for 10 minutes, then allyl bromide (23 g) 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 bed of celite. The celite bed was washed with acetonitrile (100 mL) and the combined filtrates were concentrated to give diethyl allylmalonate (24 g) as a colorless liquid. | [Synthesis Reference(s)]
Chemistry Letters, 17, p. 291, 1988
The Journal of Organic Chemistry, 28, p. 504, 1963 DOI: 10.1021/jo01037a058 |
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