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Chemical Structure| 111562-32-4 Chemical Structure| 111562-32-4

Structure of 111562-32-4

Chemical Structure| 111562-32-4

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Product Details of [ 111562-32-4 ]

CAS No. :111562-32-4
Formula : C9H9N3
M.W : 159.19
SMILES Code : NC1=CC=CC=C1C2=NNC=C2
MDL No. :MFCD09028476
InChI Key :NRSKRRKWPPDKNI-UHFFFAOYSA-N
Pubchem ID :257424

Safety of [ 111562-32-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 111562-32-4 ]

* 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 [ 111562-32-4 ]

[ 111562-32-4 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 59844-05-2 ]
  • [ 111562-32-4 ]
YieldReaction ConditionsOperation in experiment
palladium; In methanol; a) 2-(1H-Pyrazol-3-yl)-phenylamine To <strong>[59844-05-2]3-(2-nitrophenyl)-1H-pyrazole</strong> (Butt Park Ltd.) (100 mg, 0.53 mmol) was added methanol (10 mL) and the solution was degassed under Ar. To this solution was added 10% palladium on carbon (100 mg) and the mixture stirred at RT for 50 min under hydrogen (1 atm). The mixture was filtered through a short column of Celite, the product was washed off the column with methanol, and the solvent removed in vacuo to yield the title compound as a colorless crystalline solid (84 mg, quantitative yield). 1H-NMR (CDCl3; 400 MHz): δ 7.55 (d, 1H, J=2.3 Hz), 7.51 (m, 1H), 7.14 (m, 1H), 7.79-6.75 (m, 2H), 6.62 (m, 1H, J=2.4). LC-MS (ESI, m/z): Calcd. for C9H10N3: 160.1 (M+H); found: 160.1.
With hydrogen;palladium 10% on activated carbon; In methanol; at 20℃; under 2585.81 Torr; A mixture of compound 3 (25 g, 0.13 mol) and Pd/C (5 g, 10% w/w) in MeOH (500 mL) was stirred at room temperature under H2 (50 psi) overnight. After filtration, the filtrate was concentrated under vacuum to give compound 4 (17 g, yield: 81 %), which was used to the next step without further purification.
  • 2
  • [ 111562-32-4 ]
  • [ 27762-64-7 ]
  • 5-(cyclohexylmethyl)-5,6-dihydrobenzo[e]pyrazolo[1,5-c][1,3,2]diazaborinine [ No CAS ]
  • 3
  • [ 80041-89-0 ]
  • [ 111562-32-4 ]
  • 5-isopropyl-5,6-dihydrobenzo[e]pyrazolo[1,5-c][1,3,2]diazaborinine [ No CAS ]
 

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