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[ CAS No. 1970972-74-7 ] {[proInfo.proName]}

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Chemical Structure| 1970972-74-7
Chemical Structure| 1970972-74-7
Structure of 1970972-74-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1970972-74-7 ]

CAS No. :1970972-74-7 MDL No. :MFCD32708508
Formula : C16H20F3N5O4S Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 435.42 Pubchem ID :-
Synonyms :
MYK-491;SAR440181
Chemical Name :(R)-4-(1-((3-(Difluoromethyl)-1-methyl-1H-pyrazol-4-yl)sulfonyl)-1-fluoroethyl)-N-(isoxazol-3-yl)piperidine-1-carboxamide

Safety of [ 1970972-74-7 ]

Signal Word: Class:N/A
Precautionary Statements: UN#:N/A
Hazard Statements: Packing Group:N/A

Application In Synthesis of [ 1970972-74-7 ]

* 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 [ 1970972-74-7 ]

[ 1970972-74-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 444791-39-3 ]
  • [ 1970976-47-6 ]
  • [ 1970972-74-7 ]
YieldReaction ConditionsOperation in experiment
96% In acetonitrile at 65℃; 20 Compound 20. (R)-4-(1-((3-(Difluoromethyl)-1-methyl-1H-pyrazol-4-yl)sulfonyl)-1-fluoroethyl)-N-(isoxazol-3-yl)piperidine-1-carboxamide To a solution of (R)-4-(1-((3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)sulfonyl)-1-fluoroethyl)piperidine (20.9, 20.0 g, 61.46 mmol) in acetonitrile (246 mL, 0.5 M) was added 3-aminoisoxazole phenyl carbamate (13.18 g, 64.54 mmol) portion-wise at 65° C. over 5 minutes. After stirring at 65° C. overnight, the reaction mixture was concentrated and the residue was purified by silica gel column chromatography (ISCO CombiFlash, 330 g column, CATNo.69-2203-330) using MeOH/DCM=0% to 2% (v/v) as the eluent to give the desired product as a white solid (25.6 g, 96% yield). LC-MS- (ES, m/z): 436.0 [M+H]+; 1H NMR (400 MHz, CDCl3): δ 8.23 (s, 1H), 8.11 (s, 1H), 7.89 (s, 1H), 6.98 (t, J=53.1 Hz, 1H), 6.98 (s, 1H), 4.32-4.25 (m, 2H), 4.04 (s, 3H), 2.99-2.90 (m, 2H), 2.62-2.54 (m, 1H), 2.27-2.24 (m, 1H), 1.94-1.91 (m, 1H), 1.53-1.47 (m, 5H) ppm; 19F NMR (376 MHz, CDCl3): δ -114.3 to -117.1 (m, 2F), -144.8 (s, 1F) ppm.
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