CAS 122200-62-8

METHYL 4-CHLOROCUBANECARBOXYLATE

Description:

Methyl 4-chlorocubanecarboxylate, with the CAS number 122200-62-8, is an organic compound characterized by its unique cubane structure, which is a highly strained, three-dimensional hydrocarbon framework. This compound features a methyl ester functional group and a chlorine substituent at the 4-position of the cubane ring. The presence of the chlorine atom introduces polar characteristics, potentially influencing its reactivity and solubility in various solvents. Methyl 4-chlorocubanecarboxylate is likely to exhibit moderate volatility and may participate in nucleophilic substitution reactions due to the electrophilic nature of the carbonyl carbon in the ester group. Its structural features may also confer interesting properties such as rigidity and steric hindrance, which can affect its interactions with biological systems or other chemical entities. While specific applications may vary, compounds of this type are often explored in synthetic organic chemistry and materials science for their unique structural properties and potential utility in drug design or as intermediates in chemical synthesis.

Formula: C₁₀H₉ClO₂

InChI: InChI=1/C10H9ClO2/c1-13-8(12)9-2-5-3(9)7-4(9)6(2)10(5,7)11/h2-7H,1H3

SMILES: COC(=O)C12C3C4C1C1C2C3C41Cl

Synonyms:

• Methyl 4-Chloropentacyclo[4.2.0.02,5.03,8.04,7]Octane-1-Carboxylate

Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1-carboxylic acid, 4-chloro-, methyl ester

CAS: 122200-62-8

Formula: C₁₀H₉ClO₂

Molecular weight: 196.6303

Ref: IN-DA0016Y3

Methyl (1S,2R,3R,8S)-4-chlorocubane-1-carboxylate

CAS: 122200-62-8

Methyl (1S,2R,3R,8S)-4-chlorocubane-1-carboxylate

Purity: 95%

Molecular weight: 196.63g/mol

Ref: 54-OR312563

Methyl (1S,2R,3R,8S)-4-chlorocubane-1-carboxylate

CAS: 122200-62-8

Methyl (1S,2R,3R,8S)-4-chlorocubane-1-carboxylate is a chloroform that contains hydrogen atoms. It is derived from the decarboxylation of pre-existing carboxylic acid esters. The reductive cleavage of chloroforms is often carried out using metals such as zinc or iron. A source for this product may be found in the reduction of chloroform to methyl (1S,2R,3R,8S)-4-chlorocubane-1-carboxylate with zinc.

Formula: C₁₀H₉ClO₂

Purity: Min. 95%

Molecular weight: 196.63 g/mol

Ref: 3D-XEA20062