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Chemical Structure| 779353-65-0 Chemical Structure| 779353-65-0

Structure of 779353-65-0

Chemical Structure| 779353-65-0

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Product Details of [ 779353-65-0 ]

CAS No. :779353-65-0
Formula : C14H14ClN5O
M.W : 303.75
SMILES Code : CCC1=C2N=C(Cl)C=C(NCC3=C[N+]([O-])=CC=C3)N2N=C1
MDL No. :MFCD12196871
InChI Key :AAKJCBNEUOKKTQ-UHFFFAOYSA-N
Pubchem ID :21066372

Safety of [ 779353-65-0 ]

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 [ 779353-65-0 ]

* 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 [ 779353-65-0 ]

[ 779353-65-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 779353-65-0 ]
  • [ 103639-57-2 ]
  • Dinaciclib [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium carbonate; In 1-methyl-pyrrolidin-2-one; water; at 20 - 25℃; for 12h; Example 4 Preparation of the Compound of Formula II (Scheme VI) 1-[3-Ethyl-7-[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2(s)-piperidinemethanol Into a three-neck flask fitted with a mechanical stirrer and a reflux condenser were placed the first amine adduct prepared in Step 3, compound "G", (7 kg, 23 mole), amino-alcohol compound G1a (5.6 kg, 43.3 mole), sodium carbonate (3.5 kg, 33.0 mole), 110 ml of water and 1-methyl-2-pyrrolidinone (NMP) (11 L). The reaction mixture was heated to 150° C. for 4 days. After chromatography indicated that the reaction was complete (90-95percent substrate consumed), the reaction mixture was cooled to room temperature and quenched by adding water. The mixture was then extracted with ethyl acetate. The batch was dried by distillation of the water azeotrope under atmospheric pressure and concentrated to about 28 L volume. THF was added and the solution was heated to reflux until all the solids dissolve. Ethyl acetate and trietylamine are added to the hot solution. The batch was cooled to ambient and then agitated with the temperature maintained in the range of from 20° C. to 25° C. for 12 hours. The solids were collected by filtration, washed first with ethyl acetate then water, and dried in the filter under vacuum for 24 hours with the temperature maintained at from 40° C. to 50° C., yielding 4.9 kg, 51.3percent of the compound of Formula II. DSC, 168.6° C.; Specific Rotation (10 mg/ml in MeOH, 20° C.), -117.8 °; 1H-NMR (400 MHz, DMSO): 8.31 ppm (1H, s), 8.11-8.13 ppm (1H, td, J=5.7 Hz, J=1.4 Hz), 7.97 ppm (1H, t, J=6.7 Hz), 7.68 ppm (1H, s), 7.41 ppm (1H, s), 7.37-7.43 ppm (1H, dd), 5.55 ppm (1H, s), 4.85 ppm (1H, t, J=5.4 Hz), 4.49-4.59 ppm (3H, m), 4.24-4.28 ppm (1H, broad), 3.27-3.46 ppm (2H, m), 2.76-2.83 ppm (1H, t, J=13.0 Hz), 2.45-2.50 ppm (2H, q, J=7.5 Hz), 1.72-1.79 (1H, m), 1.54-1.68 ppm (6H, m), 1.30-1.34 ppm (1H, m), 1.16 ppm (3H, t, J=7.5 Hz)
 

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