5219-05-6

Basic information

• Product Name: 2,3-bis(4-methoxyphenyl)-3-oxopropanenitrile
• Synonyms: 2,3-bis(4-methoxyphenyl)-3-oxopropanenitrile
• CAS NO: 5219-05-6
• Molecular Weight: 281.311
• Mol File: 5219-05-6.mol
• Article Data: 6

Chemical Properties

• CAS DataBase Reference: 2,3-bis(4-methoxyphenyl)-3-oxopropanenitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3-bis(4-methoxyphenyl)-3-oxopropanenitrile(5219-05-6)
• EPA Substance Registry System: 2,3-bis(4-methoxyphenyl)-3-oxopropanenitrile(5219-05-6)

Safety Data

• Hazardous Substances Data: 5219-05-6(Hazardous Substances Data)

Upstream product

• 121-98-2 methyl 4-methoxybenzoate 
• 104-47-2 p-methoxybenzylnitrile 

Relevant articles and documents

Pyrazolo[1,5-a]pyrimidines as estrogen receptor ligands: Defining the orientation of a novel heterocyclic core

We investigated the pyrazolo[1,5-a]pyrimidine system as a novel heterocyclic scaffold for the development of estrogen receptor (ER) ligands. By altering the pattern of hydroxyl substitution, we established the orientation that is most favorable for ER bin

Overcoming the limitations of fragment merging: Rescuing a strained merged fragment series targeting mycobacterium tuberculosis CYP121

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Enolate Ions as ss-Activators of ortho-metalation: Direct Synthesis of 3-Aminoindenones

ss-Ketonitriles derived from a Claisen condensation of benzoate esters with alkyl- or phenylacetonitriles lead to 3-aminoindenones in the presence of excess LDA. This new reaction is also applicable to pyridine carboxylic esters. All of the 3-aminoindenones and their aza analogues can be hydrolyzed by acid to give the corresponding 1,3-indandiones. The mechanism of the reaction falls into the directed-ortho-metalation class in which the initial enolate ion of the keto-nitrile directs self-metalation at an ortho position. The new anion then cyclizes onto the nitrile group to generate an aminoindenone. Surprisingly the simplest member of the series, benzoylacetonitrile, does not undergo cyclization. Mechanistic isotope studies revealed that this substance preferentially and directly forms a dianion on the side chain, which is not further deprotonated at the ortho position of the aromatic ring.