117506-45-3

Basic information

• Product Name: Propanedinitrile, (1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)-
• CAS NO: 117506-45-3
• Molecular Formula: C13H8N4O
• Molecular Weight: 236.233
• Mol File: 117506-45-3.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Propanedinitrile, (1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)-(CAS DataBase Reference)
• NIST Chemistry Reference: Propanedinitrile, (1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)-(117506-45-3)
• EPA Substance Registry System: Propanedinitrile, (1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)-(117506-45-3)

Safety Data

• Hazardous Substances Data: 117506-45-3(Hazardous Substances Data)

Upstream product

• 670-54-2 ethenetetracarbonitrile 
• 89-25-8 edaravone 
• 881-05-0 3-Methyl-1-phenyl-2-pyrazoline-4,5-dione 
• 109-77-3 malononitrile 

Downstream Products

• 137123-48-9 2-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-(2,5-dimethyl-1H-pyrrol-3-yl)malononitrile 
• 137123-40-1 2-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-(1H-indol-3-yl)malononitrile 
• 137123-42-3 2-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-(2-methyl-1H-indol-3-yl)malononitrile 
• 137123-41-2 2-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-(1-methyl-1H-indol-3-yl)malononitrile 
• 137123-43-4 2-(1,2-dimethyl-1H-indol-3-yl)-2-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)malononitrile 
• 119909-05-6 Cyclohexylamino-[3-methyl-5-oxo-1-phenyl-1,5-dihydro-pyrazol-(4Z)-ylidene]-acetonitrile 
• 117506-48-6 (4-Ethylamino-phenyl)-[3-methyl-5-oxo-1-phenyl-1,5-dihydro-pyrazol-(4E)-ylidene]-acetonitrile 
• 114740-63-5 6-amino-3,3'-dimethyl-5'-oxo-1,1'-diphenylspiropyrazole-4(1H),4'(5'H)-<1H>-pyrazole>-5-carbonitrile 
• 134881-43-9 10-Acetyl-7-amino-1,9-dimethyl-4-oxo-3-phenyl-8-oxa-2,3-diazaspiro<4.5>deca-1,6,9-trien-6-carboxylate 
• 117506-47-5 (4-Diethylamino-phenyl)-[3-methyl-5-oxo-1-phenyl-1,5-dihydro-pyrazol-(4E)-ylidene]-acetonitrile 
• 127207-58-3 <4,5-Dihydro-3-methyl-5-oxo-1-phenyl-4-pyrazolyliden><4-(1,4,7,10-tetraoxa-13-aza-13-cyclopentadecyl)phenyl>acetonitril 
• 132375-27-0 (1S,3aS,6aR)-3-[3-Methyl-5-oxo-1-phenyl-1,5-dihydro-pyrazol-(4Z)-ylidene]-4,6-dioxo-5-phenyl-octahydro-pyrrolo[3,4-c]pyrrole-1-carboxylic acid methyl ester 
• 132375-27-0 (1R,3aS,6aR)-3-[3-Methyl-5-oxo-1-phenyl-1,5-dihydro-pyrazol-(4Z)-ylidene]-4,6-dioxo-5-phenyl-octahydro-pyrrolo[3,4-c]pyrrole-1-carboxylic acid methyl ester 
• 137123-55-8 (1,2-Dimethyl-1H-indol-3-yl)-[3-methyl-5-oxo-1-phenyl-1,5-dihydro-pyrazol-(4Z)-ylidene]-acetonitrile 

Relevant articles and documents

Structural reassignment of an 'unusual' derivative of 3-methyl-5-phenylpyrazol-5-one (Edaravone)

The structure of the major product from the reaction of 4-bromo-3-methyl-1-phenylpyrazol-5-one (1) with ethyl cyanoacetate is shown, by means of an X-ray crystal structure determination, to be the spirocyclic compound 4, rather than the previously propose

Syntheses with Nitriles, LXXX. Dicyanomethylenepyrazolinones and Their Chromophoric Properties

1-Phenyl-2-pyrazolin-5-ones 1a-e react with tetracyanoethylene forming the corresponding dicyanomethylenepyrazolin-5-ones 2a-e.The products are deeply coloured with absorption bands between 550 and 650 nm, but low ε-values and negative solvatochromic effe