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1H-Pyrrole-3-carbonitrile, 2,5-dihydro-4-hydroxy-5-oxo-1-(phenylmethyl)- is a complex organic compound with the molecular formula C12H10N2O2. It is a derivative of pyrrole, a heterocyclic aromatic organic compound consisting of a five-membered ring with one nitrogen atom and four carbon atoms. In this specific compound, the pyrrole ring is substituted with a carbonitrile group at the 3-position, a hydroxy group at the 4-position, and a phenylmethyl group at the 1-position. The 2,5-dihydro and 5-oxo parts of the name indicate the presence of a double bond between carbons 2 and 5, and a carbonyl group at the 5-position, respectively. 1H-Pyrrole-3-carbonitrile, 2,5-dihydro-4-hydroxy-5-oxo-1-(phenylmethyl)- is known for its potential applications in the synthesis of various pharmaceuticals and agrochemicals due to its unique structure and reactivity.

952-46-5

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952-46-5 Usage

Molecular structure

Contains a pyrrole ring with a carbonitrile group (CN) attached to the 3-position, a hydroxy group (OH) at the 4-position, and a carbonyl group (C=O) at the 5-position. Also features a phenylmethyl substituent (C6H5-CH2) at the 1-position.

Molecular weight

239.27 g/mol

Potential uses

In the pharmaceutical industry for the development of drugs and other therapeutic compounds.

Biological activity

The structure of the compound suggests potential biological activity, making it a subject of further research in medicinal chemistry and drug discovery.

Check Digit Verification of cas no

The CAS Registry Mumber 952-46-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 9,5 and 2 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 952-46:
(5*9)+(4*5)+(3*2)+(2*4)+(1*6)=85
85 % 10 = 5
So 952-46-5 is a valid CAS Registry Number.

952-46-5Relevant academic research and scientific papers

Mn(III)-based reaction of alkenes with pyrrolidinedione derivatives. Formation of bicyclic peroxides and the related compounds

Nguyen, Van-Ha,Nishino, Hiroshi,Kurosawa, Kazu

, p. 465 - 480 (2007/10/03)

Alkenes (1) and 2,3-pyrrolidinediones (2) were treated with manganese(III) acetate in acetic acid at 23°C under a stream of dry air giving 1-hydroxy-8-aza-2,3-dioxabicyclo[4.3.0]nonan-9-ones (3) in good yields. The reaction at elevated temperature gave 4-ethenyl-2,3-pyrrolidinediones (6) and/or 4-alkyl-2,3-pyrrolidinediones (7) in good yields. A wide variety of 2,3-pyrrolidinediones having an alkoxycarbonyl, cyano, or acyl group at the 4-position were tested to delineate the scope and limitations of these reactions. The mechanisms for the formation of the products were also discussed.

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