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[ CAS No. 944591-57-5 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 944591-57-5
Chemical Structure| 944591-57-5
Structure of 944591-57-5 *Storage: {[proInfo.prStorage]}

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Product Details of [ 944591-57-5 ]

CAS No. :944591-57-5MDL No. :MFCD06657894
Formula : C17H27BClNO3 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :339.67Pubchem ID :-
Synonyms :

Computed Properties of [ 944591-57-5 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 944591-57-5 ]

Signal Word:WarningClass:
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-P501UN#:
Hazard Statements:H302-H315-H319-H335Packing Group:
GHS Pictogram:

Application In Synthesis of [ 944591-57-5 ]

  • Downstream synthetic route of [ 944591-57-5 ]

[ 944591-57-5 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 920965-87-3 ]
  • [ 944591-57-5 ]
  • 4-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
44% With potassium fluoride; bis(tri-tert-butylphosphine)palladium(0); In 1,4-dioxane; water; at 20 - 150℃; for 0.583333h;Inert atmosphere; Microwave irradiation; Example 5 4-[4-(Morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile 0.078 g prepared from <strong>[920965-87-3]4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile</strong> (0.10 g, 0.56 mmol) and 4-(4-morpholinomethyl)phenylboronic acid pinacol ester hydrochloride (0.21 g, 0.62 mmol) as an off-white solid in 44% yield. LC-MS (Method A) (m/z) 319 (MH+); tR=1.54. 1H NMR (DMSO-d6, 400 MHz) delta: 12.96 (1H, s, br), 8.51 (1H, s), 8.44-8.43 (1H, d), 7.59-7.57 (2H, d), 7.47-7.45 (2H, d), 7.25-7.24 (1H, d), 3.61-3.58 (4H, m), 3.56 (2H, s), 2.42-2.38 (4H, m).
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