CAS 849762-24-9

(3,6-Dioxo-1,4-cyclohexadien-1-yl)methyl 3-methylbutanoate

Description:

(3,6-Dioxo-1,4-cyclohexadien-1-yl)methyl 3-methylbutanoate, with the CAS number 849762-24-9, is an organic compound characterized by its unique structure that includes a cyclohexadiene ring with two ketone functional groups and an ester moiety. This compound typically exhibits a relatively high degree of reactivity due to the presence of the dicarbonyl system, which can participate in various chemical reactions, including nucleophilic additions and cycloadditions. The ester group contributes to its solubility in organic solvents and may influence its volatility and stability. Additionally, the presence of the methylbutanoate side chain can affect its physical properties, such as boiling point and melting point, as well as its interactions with biological systems. Overall, this compound may have applications in organic synthesis, potentially serving as an intermediate in the production of more complex molecules or as a building block in medicinal chemistry. However, specific safety and handling guidelines should be followed due to its reactive nature.

Formula: C₁₂H₁₄O₄

InChI: InChI=1S/C12H14O4/c1-8(2)5-12(15)16-7-9-6-10(13)3-4-11(9)14/h3-4,6,8H,5,7H2,1-2H3

InChI key: InChIKey=JVMUMZYOAWLJQW-UHFFFAOYSA-N

SMILES: C(OC(CC(C)C)=O)C=1C(=O)C=CC(=O)C1

Synonyms:

• (3,6-Dioxo-1,4-cyclohexadien-1-yl)methyl 3-methylbutanoate
• (3,6-Dioxocyclohexa-1,4-Dien-1-Yl)Methyl 3-Methylbutanoate
• Blattellaquinone
• Blattellaquinone, gentisyl quinone isovalerate
• Butanoic acid, 3-methyl-, (3,6-dioxo-1,4-cyclohexadien-1-yl)methyl ester
• Gentisylquinone isovalerate

Blattellaquinone

CAS: 849762-24-9

Formula: C₁₂H₁₄O₄

Purity: 95%

Color and Shape: Solid

Molecular weight: 222.2372

Ref: IN-DA0051ZX

Blattellaquinone

CAS: 849762-24-9

Blattellaquinone

Purity: 97%

Molecular weight: 222.24g/mol

Ref: 54-OR1031515

(3,6-Dioxocyclohexa-1,4-dien-1-yl)methyl 3-methylbutanoate

CAS: 849762-24-9

Formula: C₁₂H₁₄O₄

Purity: 97%

Molecular weight: 222.24

Ref: 10-F211139

Blattellaquinone

Controlled Product

CAS: 849762-24-9

Applications Blattellaquinone is a sex pheromone of German cockroach (Blatella germanica).
References Miles, W. H., et al.: Chemical Educator, 13, 231 (2008); Nojima, S., et al.: Kagaku, 60, 30 (2005); Nojima, S., et al.: Science, 5712, 1104 (2005)

Formula: C₁₂H₁₄O₄

Color and Shape: Neat

Molecular weight: 222.24

Ref: TR-B592810