29240-33-3

Basic information

• Product Name: Benzoic acid, 4-cyano-, 1-Methylethyl ester
• Synonyms: Benzoic acid, 4-cyano-, 1-Methylethyl ester;isopropyl 4-cyanobenzoate
• CAS NO: 29240-33-3
• Molecular Formula: C₁₁H₁₁NO₂
• Molecular Weight: 189.21054
• EINECS: -0
• Mol File: 29240-33-3.mol
• Article Data: 12

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Benzoic acid, 4-cyano-, 1-Methylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 4-cyano-, 1-Methylethyl ester(29240-33-3)
• EPA Substance Registry System: Benzoic acid, 4-cyano-, 1-Methylethyl ester(29240-33-3)

Safety Data

• Hazardous Substances Data: 29240-33-3(Hazardous Substances Data)

Upstream product

• 201230-82-2 carbon monoxide 
• 3058-39-7 4-iodobenzonitrile 
• 67-63-0 isopropyl alcohol 
• 105-07-7 4-cyanobenzaldehyde 
• 17201-43-3 4-cyanobenzyl bromide 
• 198978-33-5 4-iodobenzoyl cyanide 
• 767-00-0 4-cyanophenol 
• 214360-44-8 2-(4-cyanophenyl)-5,5-dimethyl[1,3,2]dioxaborinane 
• 23516-85-0 4-(2,2,2-trifluoroacetyl)benzonitrile 
• 623-26-7 terephthalonitrile 

Relevant articles and documents

PHOTO- AND RADIATION-INDUCED ALCOHOLYSIS AND SUBSTITUTION OF p-DICYANOBENZENE IN 2-PROPANOL

The irradiation of p-dicyanobenzene with 254 nm light in 2-propanol causes the alcoholysis of CN group to give isopropyl p-cyanobenzimidate.The UV-irradiation in the presence of acetone or γ-irradiation brings about the substitution of a cyano group by the hydroxyalkyl group derived from the alcohol.The substitution occurs via the electron transfer from hydroxyalkyl radicals or electrons followed by the attack of hydroxyalkyl radicals.

Acyl Cyanides as Bifunctional Reagent: Application in Copper-Catalyzed Cyanoamidation and Cyanoesterification Reaction

Cu-catalyzed domino decyanation and cyanation reaction of acyl cyanides with amines or alcohols have been developed. The cyano sources were generated in situ via C-CN cleavage yielding the corresponding cyano substituted amides or esters in moderate to excellent yields. This approach features a cheap copper catalyst, domino decyanation and cyanation reaction, readily available starting materials, broad substrate scope, operational simplicity, and the potential for further transformation of the cyano group.

Synthesis, characterization and catalytic performances of benzimidazolin-2-iminato actinide (IV) complexes in the Tishchenko reactions for symmetrical and unsymmetrical esters

A new family of benzimdazolin-2-iminato actinide?(IV) complexes [(Bim7-MeDipp/MeN)An(N(SiMe3)2)3] (An = U (3), Th (4)) and [(Bim4-MeDipp/MeN)An(N(SiMe3)2)3] (An = U (5), Th (6)) were synthesized and their solid state structures were established by single-crystal X-ray diffraction analysis. The catalytic performances of complexes 3–6 towards the homo- and cross-coupling of aldehydes (Tishchenko reaction) were studied and the thorium complexes 4 and 6 displayed moderate to high activities for the production of the corresponding symmetric and unsymmetrical esters. Coupling of aldehyde and alcohols, known as the tandem proton-transfer esterification, and the intermolecular coupling reaction between aldehyde and trifluoromethylketones were also investigated by these thorium complexes, indicating a complementary method to obtain unsymmetrical esters selectively. Plausible mechanisms for these reactions are proposed based on stoichiometric studies.