4-(2-cyanopropan-2-yl)benzoic acid
$250.00
CAS No.: 129488-74-0
Catalog No.: 193082
Purity: 95%
MF: C11H11NO2
MW: 189.214
Storage: 2-8 degree Celsius
SMILES: C(#N)C(C)(C)C1=CC=C(C(=O)O)C=C1
Catalog No.: 193082
Purity: 95%
MF: C11H11NO2
MW: 189.214
Storage: 2-8 degree Celsius
SMILES: C(#N)C(C)(C)C1=CC=C(C(=O)O)C=C1
4-(2-cyanopropan-2-yl)benzoic acid; CAS No.: 129488-74-0; 4-(2-cyanopropan-2-yl)benzoic acid. PROPERTIES: This compound appears as a white to off-white crystalline solid with molecular formula C11H10N2O2 and a molecular weight of 198.21 g/mol. It exhibits a melting point in the range of 138-142 C and demonstrates 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 4-(2-cyanopropan-2-yl)benzoic acid may cause skin irritation. The carboxylic acid group requires careful handling in strongly basic environments. APPLICATIONS: In medicinal chemistry, 4-(2-cyanopropan-2-yl)benzoic acid serves as a key intermediate for synthesizing antiviral agents, as documented in pharmaceutical research focusing on nucleoside analogs. 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 herbicidal activities through coupling reactions. Academic studies have explored its potential in bioconjugation reactions for creating targeted therapeutic agents, as reported in biochemical journals. The benzoic acid framework 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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