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Chemical Structure| 249513-32-4 Chemical Structure| 249513-32-4

Structure of 249513-32-4

Chemical Structure| 249513-32-4

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Product Details of [ 249513-32-4 ]

CAS No. :249513-32-4
Formula : C16H18N2O6
M.W : 334.32
SMILES Code : O=C(C1=C2C=CC=NN2C(C(OC(C)(C)C)=O)=C1C(OC)=O)OC

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Application In Synthesis of [ 249513-32-4 ]

* 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.

  • Upstream synthesis route of [ 249513-32-4 ]

[ 249513-32-4 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 249513-32-4 ]
  • [ 118768-13-1 ]
YieldReaction ConditionsOperation in experiment
96%
Stage #1: at 60℃;
Stage #2: at 80℃;
Intermediate B8: pyrrolo[1,2-b]pyridazine-6-carboxylic acid
7-tert-butyl 5,6-dimethyl pyrrolo[1,2-b]pyridazine-5,6,7-tricarboxylate, prepared accordingly to the procedure reported in J. Mat.
Chem., 1999, 9, 2183-2188, which is incorporated herein by reference in its entirety, (3.25 g, 9.72 mmol) was suspended in a solution of KOH (2.727 g, 48.6 mmol) in water (12 mL) and the reaction was heated at 60° C. overnight.
The mixture was acidified by addition of aqueous conc. HCl (9.41 mL) until pH=1 and stirred at 80° C. overnight.
After cooling to room temperature the precipitated was collected by filtration to afford title compound (1.52 g, 9.37 mmol, 96percent yield). MS/ESI+ 163.1 [MH]+, Rt=0.61 min (Method A).
References: [1] Patent: US2015/361100, 2015, A1, . Location in patent: Paragraph 0303; 0304.
 

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