| Identification | More | [Name]
DIETHYL DIALLYLMALONATE | [CAS]
3195-24-2 | [Synonyms]
DIALLYLMALONIC ACID DIETHYL ESTER
DIETHYL 2,2-DIALLYLMALONATE
DIETHYL DI-2-PROPENYLMALONATE
DIETHYL DIALLYLMALONATE
Malonic acid, diallyl-, diethyl ester
Propanedioic acid, di-2-propenyl-, diethyl ester
1,6-Heptadiene-4,4-dicarboxylic acid diethyl ester | [EINECS(EC#)]
221-696-4 | [Molecular Formula]
C13H20O4 | [MDL Number]
MFCD00009126 | [Molecular Weight]
240.3 | [MOL File]
3195-24-2.mol |
| Chemical Properties | Back Directory | [Boiling point ]
128-130 °C/12 mmHg (lit.) | [density ]
0.994 g/mL at 25 °C(lit.)
| [vapor pressure ]
4.266Pa at 25℃ | [refractive index ]
n20/D 1.446(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform, DMSO, Methanol | [form ]
Oil | [color ]
Clear Colourless | [Water Solubility ]
Sparingly Soluble in water. (0.72 g/L) (25°C) | [BRN ]
1790529 | [InChI]
1S/C13H20O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h5-6H,1-2,7-10H2,3-4H3 | [InChIKey]
LYUUVYQGUMRKOV-UHFFFAOYSA-N | [SMILES]
CCOC(=O)C(CC=C)(CC=C)C(=O)OCC | [LogP]
3.46 | [CAS DataBase Reference]
3195-24-2(CAS DataBase Reference) |
| 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 .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [HS Code ]
2917198090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
Diethyl diallylmalonate is the starting material for enantioselective synthesis of carbocyclic nucleoside analogues. It is also used as Low catalyst loading in ring-closing metathesis reaction. Cationic nickel (with monodentate phosphoramidites and Wilke?s azaphospholene as ligands) catalyzed cycloisomerisation of diethyl diallylmalonate has been reported. | [Definition]
ChEBI: Diethyl diallylmalonate is a fatty acid ester. | [General Description]
Low catalyst loading in ring-closing metathesis reaction of diethyl diallylmalonate has been reported. Cationic nickel (with monodentate phosphoramidites and Wilke′s azaphospholene as ligands) catalyzed cycloisomerisation of diethyl diallylmalonate has been reported. | [Synthesis]
To a mixture of diethyl malonate (10 g, 62.5 mmol) and allyl bromide (14.25 g, 187.5 mmol), a concentrated solution of sodium ethanolate (70 mL ethanol solution of 8.6 g sodium) was slowly added between 5-10°C with continuous stirring. After the addition |
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