570419-57-7

Basic information

• Product Name: C₁₃H₁₃NO₂
• Synonyms: C₁₃H₁₃NO₂
• CAS NO: 570419-57-7
• Molecular Weight: 215.252
• Mol File: 570419-57-7.mol

Chemical Properties

• CAS DataBase Reference: C₁₃H₁₃NO₂(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₃H₁₃NO₂(570419-57-7)
• EPA Substance Registry System: C₁₃H₁₃NO₂(570419-57-7)

Safety Data

• Hazardous Substances Data: 570419-57-7(Hazardous Substances Data)

Upstream product

• 104-53-0 3-phenyl-propionaldehyde 
• 105-34-0 methyl 2-cyanoacetate 

Downstream Products

• 1025483-41-3 methyl 2-cyano-5-phenylpentanoate 

Relevant articles and documents

Superacid-catalyzed intramolecular cyclization reaction of arylcyanopropionate: Geminal substitution effect on superelectrophilicity

(Chemical Equation Presented) We present superacid-catalyzed intramolecular cyclization reactions of arylcyanopropionates to give cyclized five- and six-membered β-enamino esters in moderate to high yields. Known intramolecular ring-closing reactions of protonated nitrile to aromatic carbon atom are limited to the 6-membered case. Interestingly, a significant synergistic increase of reactivity of the cyano functionality was observed, and the cyano nitrogen atom was converted into an amino group, when an ester group was present in a geminal arrangement. Deuterium exchange experiments excluded the involvement of deprotonation of the α-proton in the cyclization process. The acidity dependence of the cyclization reactions and 13C NMR studies of a model compound, methyl cyanoacetate, in various acidic media were consistent with the involvement of the O,N-diprotonated dication of methyl cyanoacetate, a distonic dication, in strong acid, and this is considered to be the de facto electrophile in the present cyclization reaction of arylcyanopropionates.