CAS No.7686-78-4,2-VINYLCYCLOPROPANE-1,1-DICARBOXYLIC ACID DIETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7686-78-4
Name:	2-VINYLCYCLOPROPANE-1,1-DICARBOXYLIC ACID DIETHYL ESTER
Article Data:	38

Formula:	C₁₁H₁₆O₄
Molecular Weight:	212.246
Synonyms:	1,1-Cyclopropanedicarboxylicacid, 2-ethenyl-, diethyl ester (9CI);1,1-Cyclopropanedicarboxylic acid,2-vinyl-, diethyl ester (8CI);1,1-Cyclopropanedicarboxylic acid, vinyl-,diethyl ester (6CI,7CI);1,1-Bis(ethoxycarbonyl)-2-vinylcyclopropane;Diethyl2-ethenylcyclopropane-1,1-dicarboxylate;Diethyl2-vinylcyclopropane-1,1-dicarboxylate;
EINECS:	231-695-0
Density:	1.174 g/cm³
Boiling Point:	230.6 °C at 760 mmHg
Flash Point:	101.6 °C
PSA:	52.60000
LogP:	1.30490

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Specification

The 1,1-Cyclopropanedicarboxylicacid, 2-ethenyl-, 1,1-diethyl ester, with the CAS registry number 7686-78-4 and EINECS registry number 231-695-0, has the systematic name of diethyl 2-ethenylcyclopropane-1,1-dicarboxylate. And the molecular formula of the chemical is C₁₁H₁₆O₄.

The characteristics of 1,1-Cyclopropanedicarboxylicacid, 2-ethenyl-, 1,1-diethyl ester are as followings: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 82.32; (6)ACD/BCF (pH 7.4): 82.32; (7)ACD/KOC (pH 5.5): 817.97; (8)ACD/KOC (pH 7.4): 817.97; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 55.68 cm³; (15)Molar Volume: 180.7 cm³; (16)Polarizability: 22.07×10^-24cm³; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.174 g/cm³; (19)Flash Point: 101.6 °C; (20)Enthalpy of Vaporization: 46.73 kJ/mol; (21)Boiling Point: 230.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0652 mmHg at 25°C.

Preparation of 1,1-Cyclopropanedicarboxylicacid, 2-ethenyl-, 1,1-diethyl ester: This chemical can be prepared by malonic acid diethyl ester and 1,4-dibromo-but-2t-ene. The reaction will need reagent potassium carbonate, and the menstruum ethanol. The reaction time is 12 hours with heating, and the yield is about 63%.

Uses of 1,1-Cyclopropanedicarboxylicacid, 2-ethenyl-, 1,1-diethyl ester: It can react with diazomethane to produce 2-cyclopropyl-1,1-diethoxycarbonylcyclopropane. This reaction will need reagent palladium(II) diacηte, and the menstruum diethyl ether. The reaction temperature is -10°C, and the yield is about 96%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC)C1(C(=O)OCC)C(\C=C)C1
(2)InChI: InChI=1/C11H16O4/c1-4-8-7-11(8,9(12)14-5-2)10(13)15-6-3/h4,8H,1,5-7H2,2-3H3
(3)InChIKey: UOQTXZICFVMERR-UHFFFAOYAI