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Chemical Structure| 54705-42-9

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Product Details of [ 54705-42-9 ]

CAS No. :54705-42-9
Formula : C7H13NO2
M.W : 143.18
SMILES Code : O=C1OC[C@H](C(C)(C)C)N1
MDL No. :MFCD00221503
InChI Key :WKUHGFGTMLOSKM-RXMQYKEDSA-N
Pubchem ID :6950844

Safety of [ 54705-42-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 54705-42-9 ]

* 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 [ 54705-42-9 ]

[ 54705-42-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 54705-42-9 ]
  • 7-bromo-5-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine [ No CAS ]
  • [ 51323-43-4 ]
  • (S)-3-(3-(4-amino-5-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl)benzyl)-4-(tert-butyl)oxazolidin-2-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
23.71% To a suspension of (S)-4-Qert-butyl)oxazolidin-2-one (29.6 mg, 0.206 mmol) in THF (0.75 mL) was added sodium hydride (5.78 mg, 0.24 1 mmol). The mixture was stirred briefly and then <strong>[51323-43-4](3-(bromomethyl)phenyl)boronic acid</strong> (29.6 mg, 0.13 8 mmol) was added and the resulting mixture was stirred at room temperature for 1 8h. Water (0.2 mL)was added followed by phosphoric acid, potassium salt (58.4 mg, 0.275 mmol) and 7- bromo-5 -(1 -(tetrahydro-2H-pyran-4-yl)- 1 H-pyrazol-5 -yl)pyrrolo [2,1-f] [1 ,2,4]triazin-4- amine (25 mg, 0.069 mmol) (Intermediate Ni). The mixture was degassed by bubbling argon while sonicating and tetrakis triphenylphosphine (8.0 mg, 0.007 mmol) was added. The resulting mixture was heated at 85 C until the reaction was judged to be complete byLC/MS to afford (S)-3 -(3 -(4-amino-S -(1 -(tetrahydro-2H-pyran-4-yl)- 1 H-pyrazol-S-yl) pyrrolo [2,1 -f] [1 ,2,4]triazin-7-yl)benzyl)-4-Qert-butyl)oxazolidin-2-one (8.5 mg, 0.016 mmol, 23.7 1% yield). ?H NMR (500MHz, DMSO-d6) oe 8.04 (s, 1H), 8.02-7.97 (m, 2H), 7.67 (d, J=i.5 Hz, 1H), 7.49 (t, J=7.7 Hz, 1H), 7.26 (d, J=7.9 Hz, 1H), 7.22 (s, 1H), 6.46 (d, J=2.0 Hz, 1H), 4.78 (d, J=15.9 Hz, 1H), 4.42 (d, J=15.9 Hz, 1H), 4.39-4.32 (m, 1H),4.31-4.26 (m, 1H), 4.26-4.22 (m, 1H), 3.88 (d, J=7.9 Hz, 2H), 3.50 (dd, J=8.7, 4.7 Hz,1H), 2.15-2.03 (m, 2H), 0.89 (s, 9H). LC/MS: 1.48 mi [M+i] = 516.2 Method I.
 

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[ 54705-42-9 ]

Chemical Structure| 142618-93-7

A503659 [142618-93-7]

(R)-4-(tert-Butyl)oxazolidin-2-one

Reason: Optical isomers