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[ CAS No. 936728-17-5 ]

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Chemical Structure| 936728-17-5
Chemical Structure| 936728-17-5
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Product Details of [ 936728-17-5 ]

CAS No. :936728-17-5 MDL No. :MFCD09997794
Formula : C19H30BNO4 Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :347.26 g/mol Pubchem ID :-
Synonyms :

Safety of [ 936728-17-5 ]

Signal Word:Warning Class:
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 UN#:
Hazard Statements:H315-H319 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 936728-17-5 ]

  • Downstream synthetic route of [ 936728-17-5 ]

[ 936728-17-5 ] Synthesis Path-Downstream   1~10

YieldReaction ConditionsOperation in experiment
S.V.2.c Step c: Step c: tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylmethylcarbamate The coupling reaction was achieved in the same manner as described above for 1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl-piperazine, Preparation 3.
  • 2
  • [ 936728-17-5 ]
  • (R)-3-bromo-6-((4-hydroxy-1-(4,4,4-trifluoro-3-phenylbutanoyl)piperidin-4-yl)methyl)-2-methyl-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one [ No CAS ]
  • (R)-tert-butyl 4-(6-((4-hydroxy-1-(4,4,4-trifluoro-3-phenylbutanoyl)piperidin-4- yl)methyl)-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-3-yl)benzyl(methyl)carbamate [ No CAS ]
YieldReaction ConditionsOperation in experiment
45% With potassium phosphate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 In 1,4-dioxane; water at 150℃; for 0.25h; Inert atmosphere; Microwave irradiation; 83.2 General procedure 5: Suzuki coupling General procedure: A reaction vial was charged with a mixture of the bromide (1 equiv.), the organoboron reagent (1-3 equiv.), a Pd catalyst (0.05-0.1 equiv.) and an inorganic base (2-5 equiv.) in 1 ,4-dioxane/water or DME/water and the 02 was removed by evacuating and refilling with N2 three times before the reaction tube was sealed. The reaction was heated under the indicated conditions for the indicated time before being cooled to RT and saturated NH4CI(aq) was added. The mixture was then extracted with DCM (x3) using a Biotage phase separator. The combined organic phases were concentrated and the residue purified by flash chromatography (Biotage KP-Sil and KP-NH, 0-100% EtOAc in cyclohexane or PE, then 0- 30% MeOH in EtOAc) to give the product.
  • 3
  • [ 936728-17-5 ]
  • (R)-6-((4-hydroxy-1-(4,4,4-trifluoro-3-phenylbutanoyl)piperidin-4-yl)methyl)-2-methyl-3-(4-((methylamino)methyl)phenyl)-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium phosphate / 1,4-dioxane; water / 0.25 h / 150 °C / Inert atmosphere; Microwave irradiation 2: trifluoroacetic acid / dichloromethane / 0.5 h / 20 °C
  • 4
  • [ 260809-26-5 ]
  • [ 73183-34-3 ]
  • [ 936728-17-5 ]
YieldReaction ConditionsOperation in experiment
94% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate In 1,4-dioxane at 80℃; for 14h; Inert atmosphere;
42% With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate In 1,4-dioxane at 95℃; Inert atmosphere; 83.1 Step 1: tert-Butyl methyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)carbamate: A solution of te/f-butyl 4-bromobenzyl(methyl)carbamate (150 mg, 0.50 mmol), (0909) bis(pinacolato)diboron (190 mg, 0.75 mmol) and potassium acetate (147 mg, 1.50 mmol) in anhydrous 1 ,4-dioxane (2 mL) was degassed by bubbling nitrogen through the solution for 10 min, followed by the addition of PdCI2(dppf)-DCM adduct (20 mg, 0.025 mmol). The reaction mixture was heated to 95 °C under a nitrogen atmosphere overnight, allowed to cool to RT, diluted with water (5 mL) and extracted into EtOAc (3 x 5 mL). The combined organic phases were dried over Na2S04, filtered, concentrated to dryness under reduced pressure, purified by flash chromatography (GraceResolv silica 12 g cartridge, (0910) cyclohexane:ethyl acetate, gradient elution from 95:5 to 70:30) to give the title compound (72 mg, 42%) as a colourless solid. LCMS (Method A): RT = 2.02 min, m/z = 292 [M- butene+H]+. NMR (300 MHz, CDCI3): δ 7.77 (d, 2H), 7.20 (br d, 2H), 4.43 (br s, 2H), 2.68- 2.89 (m, 3H), 1.39-1.53 (m, 9H), 1.33 (s, 12H).
  • 5
  • [ 936728-17-5 ]
  • 8-bromo-5-iodo-2,3,4,6-tetrahydro-1H-azepino[5,4,3-cd]indol-1-one [ No CAS ]
  • C24H26BrN3O3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,4-dioxane; water at 85℃; for 16h; Inert atmosphere; chemoselective reaction;
  • 6
  • [ 1122-91-4 ]
  • [ 936728-17-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: methanol; ethanol / 3 h / 20 °C 1.2: 3 h / 0 °C 2.1: dmap / tetrahydrofuran / 15.5 h / 0 - 20 °C 3.1: potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 14 h / 80 °C / Inert atmosphere
  • 7
  • [ 24424-99-5 ]
  • [ 936728-17-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: dmap / tetrahydrofuran / 15.5 h / 0 - 20 °C 2: potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 14 h / 80 °C / Inert atmosphere
  • 8
  • [ 936728-17-5 ]
  • [18F]tert-butyl (4-(8-fluoro-1-oxo-2,3,4,6-tetrahydro-1H-azepino[5,4,3-cd]indol-5-yl)benzyl)(methyl)carbamate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: tetrakis(triphenylphosphine) palladium(0); sodium carbonate / water; 1,4-dioxane / 16 h / 85 °C / Inert atmosphere 2: potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / N,N-dimethyl-formamide / 80 °C / Inert atmosphere 3: 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosan/[18F]fluoride; tetrakis(pyridine)copper(II) bis(trifluoromethanesulfonate) / acetonitrile / 0.33 h / 120 °C / Sealed tube
  • 9
  • [ 936728-17-5 ]
  • [18F]rucaparib [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: tetrakis(triphenylphosphine) palladium(0); sodium carbonate / water; 1,4-dioxane / 16 h / 85 °C / Inert atmosphere 2: potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / N,N-dimethyl-formamide / 80 °C / Inert atmosphere 3: 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosan/[18F]fluoride; tetrakis(pyridine)copper(II) bis(trifluoromethanesulfonate) / acetonitrile / 0.33 h / 120 °C / Sealed tube 4: trifluoroacetic acid / acetonitrile / 0.33 h / 120 °C / Sealed tube
  • 10
  • [ 699-03-6 ]
  • [ 936728-17-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: dmap / tetrahydrofuran / 15.5 h / 0 - 20 °C 2: potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 14 h / 80 °C / Inert atmosphere
Historical Records

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[ 936728-17-5 ]

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