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Home > Encyclopedia > Propanedioic acid, 2,2-dibutyl-, 1,3-diethyl ester

Propanedioic acid, 2,2-dibutyl-, 1,3-diethyl ester

Propanedioic acid, 2,2-dibutyl-, 1,3-diethyl ester structure

Propanedioic acid, 2,2-dibutyl-, 1,3-diethyl ester 

structure
  • CAS No:

    596-75-8

  • Formula:

    C15H28O4

  • Chemical Name:

    Propanedioic acid, 2,2-dibutyl-, 1,3-diethyl ester

  • 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

Description

colourless liquid

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

Methods of 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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