Propanedioic acid, 2,2-dibutyl-, 1,3-diethyl ester
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Propanedioic acid, 2,2-dibutyl-, 1,3-diethyl ester
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CAS No:
596-75-8
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Formula:
C15H28O4
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Chemical Name:
Propanedioic acid, 2,2-dibutyl-, 1,3-diethyl ester
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Synonyms:
Propanedioic acid,2,2-dibutyl-,1,3-diethyl ester;Malonic acid,dibutyl-,diethyl ester;Propanedioic acid,dibutyl-,diethyl ester;Diethyl dibutylmalonate;NSC 8913;Dibutylmalonic acid diethyl ester;Diethyl 2,2-dibutylmalonate;1,3-Diethyl 2,2-dibutylpropanedioate
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CAS No:
Propanedioic acid, 2,2-dibutyl-, 1,3-diethyl ester Basic Attributes
272.38
272.38
209-890-7
8M1UZO3IFC
8913
DTXSID4060496
2917190090
Characteristics
52.6
4.7
colourless liquid
1.0±0.1 g/cm3
153-154 °C @ Press: 14 Torr
126.4±16.9 °C
1.443
Safety Information
NONH for all modes of transport
R22
S24/25
Xn:Harmful;
Stable. Incompatible with bases, strong oxidizing agents. Combustible.
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Propanedioic acid, 2,2-dibutyl-, 1,3-diethyl ester Use and Manufacturing
Under the protection of nitrogen, the 100g c diethyl malonate, 300 ml anhydrous ethanol into 1000 ml three port in round bottomed flask, under room temperature, adding 40.5g sodium methoxide, then, slowly adding 102.8g bromo n-butane, after adding heating reflux, the reaction 3h; to cool down to room temperature, then adding 40.5g sodium methoxide, then, slowly adding 102.8g bromo-butane, heating reflux reaction 3h. Cooling to room temperature, removing the solvent, by adding 1 mol/L sulfuric acid aqueous solution in the pH value and system to 7 the left and the right, washing the organic phase, is distilled under reduced pressure to obtain the dibutyl c diethyl malonate, 154g (yield 90.6percent).
Propanedioic acid, 2,2-dibutyl-, 1,3-diethyl ester: INACTIVE
Computed Properties
Molecular Weight:272.38
XLogP3:4.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:12
Exact Mass:272.19875937
Monoisotopic Mass:272.19875937
Topological Polar Surface Area:52.6
Heavy Atom Count:19
Complexity:245
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Propanedioic acid, 2,2-dibutyl-, 1,3-diethyl ester
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