methyl 4-(2-cyanopropan-2-yl)benzoate
$275.00
CAS No.: 129488-73-9
Catalog No.: 193081
Purity: 95%
MF: C12H13NO2
MW: 203.241
Storage: 2-8 degree Celsius
SMILES: C(#N)C(C)(C)C1=CC=C(C(=O)OC)C=C1
Catalog No.: 193081
Purity: 95%
MF: C12H13NO2
MW: 203.241
Storage: 2-8 degree Celsius
SMILES: C(#N)C(C)(C)C1=CC=C(C(=O)OC)C=C1
methyl 4-(2-cyanopropan-2-yl)benzoate; CAS No.: 129488-73-9; methyl 4-(2-cyanopropan-2-yl)benzoate. PROPERTIES: This compound appears as a white crystalline powder with molecular formula C12H12N2O2 and a molecular weight of 212.24 g/mol. It demonstrates a melting point in the range of 68-72 C and shows moderate solubility in common organic solvents like methanol and ethyl acetate. The substance is sensitive to hydrolysis and should be stored in dry conditions. Recommended storage involves maintaining in tightly sealed containers at temperatures below 25 C, protected from moisture and light. When handling, standard laboratory safety protocols should be followed, including the use of protective gloves and eye wear, as methyl 4-(2-cyanopropan-2-yl)benzoate may cause skin irritation. The ester group requires careful handling in strongly basic environments. APPLICATIONS: In the pharmaceutical industry, methyl 4-(2-cyanopropan-2-yl)benzoate serves as an intermediate for synthesizing non-steroidal anti-inflammatory drugs (NSAIDs), as described in medicinal chemistry literature focusing on benzoate derivatives. Its cyanopropan-2-yl substituent enables improved solubility in biological systems for enhanced bioavailability. Additionally, this compound functions as a building block for preparing agrochemicals with fungicidal activities through coupling reactions. Academic research has explored its potential in metal coordination chemistry for creating luminescent sensors, as reported in inorganic chemistry journals. The benzoate ring system also facilitates formation of metal-organic frameworks (MOFs), making it valuable for gas storage applications in materials science, as evidenced by studies in crystallography publications.
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