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35357-77-8

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Basic Information
CAS No.: 35357-77-8
Name: DIALLYL GLUTARATE
Article Data: 36
Molecular Structure:
Molecular Structure of 35357-77-8 (DIALLYL GLUTARATE)
Formula: C11H16O4
Molecular Weight: 212.246
Synonyms: Dimethyl 2,2-diprop-2-enylpropanedioate;Propanedioic acid, 2,2-di-2-propen-1-yl-, dimethyl ester;
EINECS: 252-526-7
Density: 1.023 g/cm3
Boiling Point: 209.7 °C at 760 mmHg
Flash Point: 87.2 °C
PSA: 52.60000
LogP: 1.47100
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Specification

The Dimethyl diallylmalonate, with the CAS registry number 35357-77-8, is also known as Propanedioic acid, 2,2-di-2-propen-1-yl-, dimethyl ester. Its EINECS number is 252-526-7. This chemical's molecular formula is C11H16O4 and molecular weight is 212.24. What's more, its systematic name is dimethyl 2,2-bis(prop-2-enyl)propanedioate. 

Physical properties of Dimethyl diallylmalonate are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/BCF (pH 5.5): 6.33; (5)ACD/KOC (pH 5.5): 130.34; (6)ACD/KOC (pH 7.4): 130.35; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 44.56 Å2; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 48.38 cm3; (13)Molar Volume: 138.6 cm3; (14)Surface Tension: 56 dyne/cm; (15)Density: 1.206 g/cm3; (16)Flash Point: 137 °C; (17)Enthalpy of Vaporization: 54.31 kJ/mol; (18)Boiling Point: 302.9 °C at 760 mmHg; (19)Vapour Pressure: 0.000962 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-allyl-2-prop-2-ynyl-malonic acid dimethyl ester. This reaction will need reagent NaIO4 and solvent CCl4, acetonitril. This reaction will also need catalyst RuCl3·H2O. The yield is about 79%.

Uses of Dimethyl diallylmalonate: it can be used to produce methyl diallylacetate at the temperature of 180 °C. It will need reagent NaCl, water and solvent dimethylsulfoxide. It's a reaction of decarboxylation. The yield is about 67%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C(CC=C)(CC=C)C(=O)OC
(2)InChI: InChI=1S/C11H16O4/c1-5-7-11(8-6-2,9(12)14-3)10(13)15-4/h5-6H,1-2,7-8H2,3-4H3
(3)InChIKey: SZIREXDQZMDDJM-UHFFFAOYSA-N