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Chemical Structure| 1233526-47-0 Chemical Structure| 1233526-47-0

Structure of 1233526-47-0

Chemical Structure| 1233526-47-0

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Product Details of [ 1233526-47-0 ]

CAS No. :1233526-47-0
Formula : C14H23BN2O2
M.W : 262.16
SMILES Code : CC1(C)OB(C2=CN(CC3CCC3)N=C2)OC1(C)C
MDL No. :MFCD18383241

Safety of [ 1233526-47-0 ]

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 [ 1233526-47-0 ]

* 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 [ 1233526-47-0 ]

[ 1233526-47-0 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1233526-47-0 ]
  • [ 116369-24-5 ]
  • 5-chloro-2-fluoro-4-(1-cyclobutylmethyl-1H-pyrazol-4-yl)aniline [ No CAS ]
YieldReaction ConditionsOperation in experiment
47 mg With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In 1,4-dioxane; water; at 110℃; for 1h;Inert atmosphere; Irradiation; <strong>[116369-24-5]4-bromo-5-chloro-2-fluoroaniline</strong> (86mg, 0.383mmol),Cyclobutylmethyl-1H-pyrazole-4-boronic acid pinacol ester (200 mg, 0.763 mmol),Pd (dppf) Cl2 (140mg, 0.191mmol) and potassium carbonate (105mg, 0.760mmol) stirring in 1,4-dioxane / water (10mL / 2mL),Under nitrogen atmosphere, the temperature was raised to 110 C for 1 hour under microwave irradiation.Cool to room temperature,add water,Dichloromethane extraction,dry,Purification by column chromatography gave 5-chloro-2-fluoro-4- (1-cyclobutylmethyl-1H-pyrazol-4-yl) benzeneAmine (47.0 mg).
  • 2
  • [ 1233526-47-0 ]
  • [ 102169-44-8 ]
  • 4-[1-(cyclobutylmethyl)-1H-pyrazol-4-yl]-5-fluorobenzene-1,2-diamine [ No CAS ]
YieldReaction ConditionsOperation in experiment
233 mg With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; triphenylphosphine; In propan-1-ol; water; at 120℃; for 2h;Inert atmosphere; 4-bromo-5-fluorobenzene-1,2-diamine (500 mg, 2.44 mmol), 1-(cyclobutylmethyl)-4-(4, 4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (see Intermediate 08-01 ; 703 mg, 2.68 mmol), triphenylphosphine (32.0 mg, 122 _) and bis(triphenylphosphine)palladium(ll) dichloride (85.6 mg, 122 _) were added to an aq. solution of potassium carbonate (3.7 ml, 2.0 M, 7.3 mmol) and 1-propanol (10 ml). The mixture was stirred under an atmosphere of argon for 2h at 120C. The mixture was filtered over a silicone filter and concentrated under reduced pressure. The crude mixture was purified by flash chromatography on silica gel to give 233 mg (37 % yield) of the title compound. 1H-NMR (400MHz, DMSO-d6): _ [ppm]= 1 .70 - 2.03 (m, 6H), 2.69 - 2.78 (m, 1H), 4.1 1 (d, 2H), 4.31 (br s, 2H), 4.76 (s, 2H), 6.34 (d, 1H), 6.69 (d, 1H), 7.54 - 7.56 (m, 1H), 7.77 (d, 1H).
 

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