617-54-9

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617-54-9 Structure

Identification	Back Directory
[Name] CITRACONIC ACID DIMETHYL ESTER
[CAS] 617-54-9
[Synonyms] C05126 DIMETHYL CITRACONATE dimethylmethylmaleate Dimethyl methyl maleate Citraconate de dimethyle methylmaleicacid,dimethylester CITRACONIC ACID DIMETHYL ESTER Methylmaleic acid, dimethyl ester Maleic acid, methyl-, dimethyl ester Dimethyl (2Z)-2-methyl-2-butenedioate Dimethyl cis-1-propene-1,2-dicarboxylate cis-2-methyl-but-2-enoicaciddimethylester 2-methyl-,dimethylester,(z)-2-butenedioicaci cis-2-methyl-2-butenedioicacid,dimethylester 2-Methyl-but-2-enedioic acid dimethyl ester, Z (Z)-2-Methyl-2-butenedioic acid dimethyl ester 2-Butenedioic acid, 2-methyl-, dimethyl ester (Z)- 2-Butenedioic acid, 2-methyl-, dimethyl ester, (2Z)-
[Molecular Formula] C7H10O4
[MDL Number] MFCD00059306
[MOL File] 617-54-9.mol
[Molecular Weight] 158.15

Chemical Properties	Back Directory
[Boiling point ] 211 °C
[density ] 1,11 g/cm³
[refractive index ] 1.4460-1.4490
[storage temp. ] Sealed in dry,Room Temperature
[solubility ] Chloroform (Slightly), Methanol (Slightly)
[form ] Oil
[color ] Clear Colourless
[LogP] 0.849 (est)
[EPA Substance Registry System] 2-Butenedioic acid, 2-methyl-, dimethyl ester, (2Z)- (617-54-9)

Safety Data	Back Directory
[Risk Statements ] 36/37/38
[Safety Statements ] 26-36
[RTECS ] GE6700000
[HS Code ] 2917198090
[Toxicity] Both the acute oral LD₅₀ value in rats and the acute dermal LD₅₀ value in rabbits exceeded 5 g/kg (Moreno, 1974).

Hazard Information	Back Directory
[Occurrence] Has apparently not been reported to occur in nature.
[Uses] Dimethyl Citraconate is a useful synthetic intermediate. It has been used in the synthesis of natural products chaetomellic acid A anhydride and 1,7(Z)- nonadecadiene-2,3-dicarboxylic acid. It is also used to prepare acyclic alkanes by reduction using homogeneous catalysts or biocatalysts.
[Preparation] By the reaction of methanol with citraconic anhydride in the presence of a catalyst.
[Synthesis Reference(s)] Journal of the American Chemical Society, 94, p. 9269, 1972 DOI: 10.1021/ja00781a071

Spectrum Detail	Back Directory
[Spectrum Detail] CITRACONIC ACID DIMETHYL ESTER(617-54-9)MS CITRACONIC ACID DIMETHYL ESTER(617-54-9)¹HNMR CITRACONIC ACID DIMETHYL ESTER(617-54-9)¹³CNMR CITRACONIC ACID DIMETHYL ESTER(617-54-9)IR1 CITRACONIC ACID DIMETHYL ESTER(617-54-9)IR2

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