Dodecanedioic acid, Mono(1,1-diMethylethyl) ester Chemical Properties

Melting point:

40 °C

Boiling point:

389.1±15.0 °C(Predicted)

Density 

0.984±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

solubility 

soluble in Toluene

form 

powder to crystal

pka

4.78±0.10(Predicted)

color 

White to Light yellow

InChI

InChI=1S/C16H30O4/c1-16(2,3)20-15(19)13-11-9-7-5-4-6-8-10-12-14(17)18/h4-13H2,1-3H3,(H,17,18)

InChIKey

QFGCFKJIPBRJGM-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(=O)CCCCCCCCCCC(O)=O

Safety Information

HS Code 

2917.19.7050

Dodecanedioic acid, Mono(1,1-diMethylethyl) ester Usage And Synthesis

Synthesis

Mono-tert-butyl dodecanedioate (32) was synthesized as follows: dodecanedioic acid (31, 15 g, 65 mmol), tert-butanol (64 mL, 650 mmol), and catalytic amount of DMAP were dissolved in THF (80 mL) at 0 °C. Subsequently, a solution of DCC (16 g, 78 mmol) in THF (20 mL) was slowly added. After the addition was completed, the reaction mixture was gradually warmed to room temperature and stirred continuously for 24 hours. Upon completion of the reaction, the insoluble DCU by-products were removed by filtration. The filtrate was concentrated and purified by column chromatography (elution gradient: 20% EtOAc/hexane to 40% EtOAc/hexane) to afford a colorless solid product (9 g, 50% yield). The characterization data of the product were consistent with the expected chemical structure and molecular formula.

References

[1] Journal of the American Chemical Society, 2004, vol. 126, # 39, p. 12196 - 12197
[2] Patent: US2006/241071, 2006, A1. Location in patent: Page/Page column 59-60
[3] Chemistry and Physics of Lipids, 2002, vol. 119, # 1-2, p. 51 - 68
[4] Chemical Communications, 1999, # 9, p. 823 - 824

Dodecanedioic acid, Mono(1,1-diMethylethyl) ester(234081-98-2)Related Product Information

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