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[ CAS No. 886501-40-2 ]

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Chemical Structure| 886501-40-2
Chemical Structure| 886501-40-2
Structure of 886501-40-2 * Storage: {[proInfo.prStorage]}

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Product Details of [ 886501-40-2 ]

CAS No. :886501-40-2 MDL No. :MFCD06740122
Formula : C12H15NO3 Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :221.25 g/mol Pubchem ID :7148426
Synonyms :

Safety of [ 886501-40-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 886501-40-2 ]

  • Downstream synthetic route of [ 886501-40-2 ]

[ 886501-40-2 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 886501-40-2 ]
  • [ 1296309-42-6 ]
YieldReaction ConditionsOperation in experiment
100% Step (i)<strong>[886501-40-2]2-methyl-3-morpholinobenzoic acid</strong> (0.5g, 2.26mmol) was dissolved in dry THF (12mL) under Nitrogen and the solution was cooled at 0C with an ice bath. A solution of B (1M in THF, 3.39mL, 3.39mmol) was added dropwise and the reaction was allowed to reach rt overnight. The mixture was quenched with NH4C1 (sat. solution, 2mL) and diluted with ethyl acetate (20mL). The organics were separated, washed with water (lOmL) and brine (lOmL) and dried over Na2S04. The filtered solution was evaporated under vacuum to give (2- methyl-3-morpholinophenyl)methanol as a crude oil which crystallized over 2h (0.5g, quantitative).
  • 2
  • [ 886501-40-2 ]
  • [ 1296309-43-7 ]
  • 3
  • [ 886501-40-2 ]
  • 2-methyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine [ No CAS ]
  • (2-methyl-3-morpholinophenyl)(2-methyl-3-phenyl-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)methanone [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In ethyl acetate; at 20℃; for 1.0h;Inert atmosphere; General procedure: To a solution of 2-methyl-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine, Intermediate 1, (150 mg, 0.7 mmol) in dichloromethane (DCM) (5.0 mL) was added HATU (348 mg, 0.91 mmol), followed by DIPEA (0.6 mL, 3.5 mmol) and 1-naphthoic acid (222 mg, 1.3 mmol), and the mixture stirred at room temperature for 1 h. The reaction mixture was diluted with water and the aqueous layer extracted with DCM (*2). The combined organics were washed with brine, dried over Na2SO4, filtered, and concentrated in vacuo. The crude residue was purified by reverse-phase HPLC (Method A) to afford the title compound as a white solid (94 mg, 36% yield). MS (ESI): mass calcd. for C24H21N3O, 367.1; m/z found, 368.1 [M+H]+. 1H NMR (400 MHz, Methanol-d4) delta 8.12-7.93 (m, 2H), 7.89-7.74 (m, 1H), 7.67-7.35 (m, 9H), 5.20-4.92 (m, 2H), 4.46-4.22 (m, 1H), 4.13-3.98 (m, 0.3H), 3.76 (d, J=54.9 Hz, 3H), 3.52-3.41 (m, 1H), 2.93-2.75 (m, 0.7H), 2.57-2.30 (m, 1H).
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