ethyl 8-cyano-3-methyl-4-oxo-1,6,10-triazabicyclo[5.3.0]deca-2,5,7,9-tetraene-2-carboxylate

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Names

[ CAS No. ]:
77936-97-1

[ Name ]:
ethyl 8-cyano-3-methyl-4-oxo-1,6,10-triazabicyclo[5.3.0]deca-2,5,7,9-tetraene-2-carboxylate

[Synonym ]:
8-carbethoxy-3-cyano-7-methyl-6H-pyrazolo<1,5-a><1,3>diazepin-6-one
Ethyl 3-cyano-7-methyl-6-oxo-6H-pyrazolo(1,5-a)(1,3)diazepine-8-carboxylate

Chemical & Physical Properties

[ Density]:
1.39g/cm3

[ Boiling Point ]:
360.1ºC at 760 mmHg

[ Molecular Formula ]:
C12H10N4O3

[ Molecular Weight ]:
258.23300

[ Flash Point ]:
171.6ºC

[ Exact Mass ]:
258.07500

[ PSA ]:
97.35000

[ LogP ]:
0.44628

[ Index of Refraction ]:
1.649

Synthetic Route

Precursor & DownStream

Precursor

  • ethyl 6-acetyl-3-cyanopyrazolo[1,5-a]pyrimidine-7-carboxylate
  • ethyl 6-acetyl-3-cyano-4,7-dihydropyrazolo[1,5-a]pyrimidine-7-carboxylate
  • ethyl 3-(((4-cyano-1H-pyrazol-5-yl)amino)methylene)-2,4-dioxopentanoate
  • ethyl 3-(ethoxymethylidene)-2,4-dioxopentanoate

DownStream