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[ CAS No. 1425045-01-7 ]

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2D
Chemical Structure| 1425045-01-7
Chemical Structure| 1425045-01-7
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Product Details of [ 1425045-01-7 ]

CAS No. :1425045-01-7MDL No. :MFCD16996317
Formula : C13H20BNO3 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :249.11Pubchem ID :71270309
Synonyms :

Computed Properties of [ 1425045-01-7 ]

TPSA : 38.8 H-Bond Acceptor Count : 3
XLogP3 : - H-Bond Donor Count : 0
SP3 : 0.62 Rotatable Bond Count : 1

Safety of [ 1425045-01-7 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1425045-01-7 ]

  • Upstream synthesis route of [ 1425045-01-7 ]
  • Downstream synthetic route of [ 1425045-01-7 ]

[ 1425045-01-7 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 51417-13-1 ]
  • [ 73183-34-3 ]
  • [ 1425045-01-7 ]
YieldReaction ConditionsOperation in experiment
100% With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate In 1,4-dioxane; water at 85℃; for 16 h; Inert atmosphere Nitrogene was passed through dioxane and this solution ( 2.0 mL) was then added to a mixture of the 5-bromo-1,3-dimethylpyridin-2(1H)-one (75 mg, 0.37 mmol), bis(pinacolato)diboron ( 113 mg, 0.445 mmol) and KOAc (109 mg, 1.11 mmol) followed by the addition of the catalyst PdCl2(dppf).CH2Cl2 (30 mg, 0.037 mmol). The reaction mixture was heated at 85 oC for 16 hours then diluted with EtOAc and and filtered on a pad of Celite®. The filtrate was concentrated under vacuum, resulting in the crude title compound (169 mg, 0.678 mmol, quantitative yield) as brown oil.
Reference: [1] Patent: WO2016/196644, 2016, A1, . Location in patent: Paragraph 709; 710
[2] Journal of Medicinal Chemistry, 2016, vol. 59, # 10, p. 4462 - 4475
[3] Patent: WO2014/78323, 2014, A1, . Location in patent: Paragraph 00584
[4] Patent: US2018/44335, 2018, A1, . Location in patent: Paragraph 0459-0460
[5] Patent: WO2018/102452, 2018, A2, . Location in patent: Paragraph 693; 694
  • 2
  • [ 6456-92-4 ]
  • [ 73183-34-3 ]
  • [ 1425045-01-7 ]
YieldReaction ConditionsOperation in experiment
81% With [2,2]bipyridinyl; (1,5-cyclooctadiene)(methoxy)iridium(I) dimer In 1,4-dioxane at 40℃; for 4 h; Inert atmosphere; Schlenk technique General procedure: Ligand (0.010 mmol) and [Ir(OMe)(cod)]2 (3.3 mg, 0.0050 mmol) were placed in a 20-mL two-necked reaction flask, which was filled with N2 by using the standard Schlenk technique. Solvent (0.50 mL) was injected via a syringe, and the mixture was stirred for 5 min at r.t. A solution of 2-pyridone (0.25 mmol) and bis(pinacolato)diboron(0.38–0.75 mmol) in solvent (1.0 mL) was then added, and the suspension was stirred under the indicated conditions. The resulting mixture was allowed to cool to r.t., diluted with EtOAc, and filtered through a short pad of neutral alumina and anhyd Na2SO4. After concentration under reduced pressure, purification by GPC (EtOAc) afforded the corresponding borylated 2-pyridone.
Reference: [1] Synthesis (Germany), 2017, vol. 49, # 21, p. 4745 - 4752
  • 3
  • [ 89488-30-2 ]
  • [ 1425045-01-7 ]
Reference: [1] Patent: US2018/44335, 2018, A1,
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