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Type HazMat fee for 500 gram (Estimated)
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Chemical Structure| 59950-56-0 Chemical Structure| 59950-56-0

Structure of 59950-56-0

Chemical Structure| 59950-56-0

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Product Details of [ 59950-56-0 ]

CAS No. :59950-56-0
Formula : C5H12N2
M.W : 100.16
SMILES Code : CC(C)(C)C(N)=N
MDL No. :MFCD00628118

Safety of [ 59950-56-0 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H225-H315-H319
Precautionary Statements:P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Class:3
UN#:1993
Packing Group:

Application In Synthesis of [ 59950-56-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 59950-56-0 ]

[ 59950-56-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 59950-56-0 ]
  • [ 52133-67-2 ]
  • 2-tert-butyl 1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
To a solution of sodium ethoxide (210 mL, 563 mmol; 21 percent in EtOH) in absolute EtOH (290 mL) were added ethyl-2-cyano-4,4-diethoxybutanoate (45 g, 281 mmol) and 2,2- dimethyl-propionamidine (59 g, 256 mmol) and heated to reflux for 12 h. The mixture was concentrated, the residue was diluted with water (100 mL) and acidified (pH 6-7) with aqueous 2N HC1 solution. The precipitate was filtered, dried under vacuum and dissolved in EtOH (100 mL). H2S04 (10 mL) was added at 0 °C and the mixture was heated to reflux for 2 h. After cooling to 25 °C the solution was made basic (pH~8-9) with NH3 aq.. The precipitate was filtered and dried under vacuum to yield 2-tert-butyl-l, 7-dihydro-pyrrolo [2,3-d]pyrimidin-4-one (18 g, 47percent) as white solid which was used in the next step without further purification. MS(m/e): 192 (M+H).
 

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