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Chemical Structure| 1153949-15-5 Chemical Structure| 1153949-15-5

Structure of 1153949-15-5

Chemical Structure| 1153949-15-5

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Product Details of [ 1153949-15-5 ]

CAS No. :1153949-15-5
Formula : C19H29BN4O4
M.W : 388.27
SMILES Code : O=C(N1CC(N2N=CC(B3OC(C)(C)C(C)(C)O3)=C2)(CC#N)C1)OC(C)(C)C
MDL No. :MFCD28401390
InChI Key :KZNCBQULUUIOLT-UHFFFAOYSA-N
Pubchem ID :67457197

Safety of [ 1153949-15-5 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H315-H319-H332-H335
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-P501

Application In Synthesis of [ 1153949-15-5 ]

* 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 [ 1153949-15-5 ]

[ 1153949-15-5 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 18740-39-1 ]
  • [ 1153949-15-5 ]
  • C19H19ClN6O2S [ No CAS ]
YieldReaction ConditionsOperation in experiment
52% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate; In 1,4-dioxane; at 80℃; for 4h; Under nitrogen, to a suspension of 2,4-dichlorotheino[2,3-d]pyrimidine (500 mg, 2.45 mmol), compound 5-a (633 mg, 1.63 mmol) and sodium carbonate (779 mg, 7.35 mmol) in 1,4-dioxane (5 mL) was added Pd(dppf)Cl2 (250 mg, 0.3 mmol). The mixture was stirred at 80° C. for 4 hours, then cooled to room temperature. Dichloromethane (50 mL) was added, the resultant mixture was filtrated, the filtrate was concentrated under reduced pressure. The residue was purified by silica column chromatography (petroleum ether:ethyl acetate=1:1 to dichloromethane:methanol=10:1) to give gray solid 18-a (360 mg, yield: 52percent). LC-MS (ESI): m/z=431 [M+H]+.
  • 2
  • [ 35265-82-8 ]
  • [ 1153949-15-5 ]
  • C20H21ClN6O2S [ No CAS ]
YieldReaction ConditionsOperation in experiment
74% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate; In 1,4-dioxane; water; at 80℃; for 4.0h;Inert atmosphere; Under nitrogen, to a suspension of compound 5-a (194 mg, 0.5 mmol), 2,4-dichloro-6-methyltheino[3,2-d]pyrimidine (149 mg, 0.5 mmol) and aqueous sodium carbonate (2.0 N, 0.75 mL) in 1,4-dioxane (7.5 mL) was added Pd(dppf)Cl2 (18 mg, 0.025 mmol). The mixture was stirred at 80 C. for 4 hours, then concentrated, and the residue was diluted with ethyl acetate (50 mL), filtrated through celite. Then the organic layer was washed with water (10 mL×3) and saturated brine (10 mL) in sequence, dried over anhydrous sodium sulfate, filtrated, the filtrate was concentrated under reduced pressure, and the residue was purified by preparation TLC (dichloromethane:methanol=30:1) to give compound 23-a (165 mg, yield: 74%). LC-MS (ESI): m/z=445 [M+H]+.
 

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