5983-05-1

Basic information

• Product Name: 4-[1-(3-chlorophenyl)-3-ethyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]-3-(3-methylpyridinium-1-yl)-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrol-2-olate
• Synonyms: 2,4(1H,3H)-Pyrimidinedione, 1-(5-O-benzoyl-3-deoxy-β-D-threo-pentofuranosyl)-
• CAS NO: 5983-05-1
• Molecular Formula: C₁₆H₁₆N₂O₆
• Molecular Weight: 484.9336
• Mol File: 5983-05-1.mol
• Article Data: 2

Chemical Properties

• Density: 1.422±0.06 g/cm3(Predicted)
• PKA: 9.39±0.10(Predicted)
• CAS DataBase Reference: 4-[1-(3-chlorophenyl)-3-ethyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]-3-(3-methylpyridinium-1-yl)-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrol-2-olate(CAS DataBase Reference)
• NIST Chemistry Reference: 4-[1-(3-chlorophenyl)-3-ethyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]-3-(3-methylpyridinium-1-yl)-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrol-2-olate(5983-05-1)
• EPA Substance Registry System: 4-[1-(3-chlorophenyl)-3-ethyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]-3-(3-methylpyridinium-1-yl)-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrol-2-olate(5983-05-1)

Safety Data

• Hazardous Substances Data: 5983-05-1(Hazardous Substances Data)

Upstream product

• 38359-53-4 1-(5-O-benzoyl-3-O-mesyl-2-tosyl-β-D-lyxo-furanosyl)uracil 
• 38431-65-1 1-(5-O-benzoyl-2,3-O-dimesyl-β-D-lyxo-furanosyl) uracil 
• 38359-55-6 5'-O-benzoyl-3'-deoxy-2'-keto-β-uridine 

Relevant articles and documents

5'-O-benzoyl-2'-keto-3'-deoxy-α-uridine: First unambiguous synthesis, crystal structure and its use to establish the anomerisation of 2'-ketouridines under basic conditions

5'-O-benzoyl-3'-deoxy-2'-keto-α-uridine was characterised unambiguously with the help of crystal structure analysis and provided 1H-NMR data to differentiate it from its β-anomer. We have also established, with the help of the above 1H-NMR data that the earlier reported procedures of synthesising 2'-ketouridine produced a mixture of anomers.