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Chemical Structure| 1035235-28-9 Chemical Structure| 1035235-28-9

Structure of 1035235-28-9

Chemical Structure| 1035235-28-9

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Product Details of [ 1035235-28-9 ]

CAS No. :1035235-28-9
Formula : C19H28BNO4
M.W : 345.24
SMILES Code : O=C(N1CC2=C(C(B3OC(C)(C)C(C)(C)O3)=CC=C2)C1)OC(C)(C)C
MDL No. :MFCD16652360
InChI Key :OFSNRLCTQYDTQE-UHFFFAOYSA-N
Pubchem ID :59463255

Safety of [ 1035235-28-9 ]

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 [ 1035235-28-9 ]

* 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 [ 1035235-28-9 ]

[ 1035235-28-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1035235-28-9 ]
  • [ 121554-10-7 ]
  • tert-butyl 4-(4-bromo-2-cyanophenyl)isoindoline-2-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
0.62 g With palladium bis[bis(diphenylphosphino)ferrocene] dichloride; potassium carbonate; In 1,4-dioxane; water; at 80℃; for 6h; Step a. To a stirred solution of tert-butyl 4-(4,4,5,5-tetramethyl-l,3,2-dioxaborolan-2-yl)isoindoline- 2-carboxylate (Intermediate 2, 0.620 g, 1.786 mmol) in 1,4-dioxane: water (9: 1, 6 ml) were added K2C03 (0.680 g, 4.871 mmol) and <strong>[121554-10-7]5-bromo-2-iodobenzonitrile</strong> (CAS Number 121554-10-7; 0.500 g, 1.623 mmol) at rt. The reaction mixture was degassed for 15 min before addition of PdCl2(dppf) (0.120 g, 0.162 mmol). The reaction mixture was heated at 80C for 6 h. The resulting reaction mixture was combined with one other batch prepared on the same scale by an identical method. The reaction mixture was cooled to rt and poured into water (100 ml). The resulting mixture was extracted with EtOAc (2 x 70 ml). The combined organic phase was dried over Na2S04, filtered and concentrated under reduced pressure. The residue was purified by flash column chromatography (6% EtOAc in n-hexane) yielding tert-butyl 4-(4-bromo-2-cyanophenyl)isoindoline-2-carboxylate (0.620 g, 1.56 mmol). LCMS: Method A, 2.512 min, MS: ES+ 343.38, 345.38 [M-56].
  • 2
  • [ 1035235-28-9 ]
  • [ 121554-10-7 ]
  • tert-butyl 4-(2-cyano-4-(1H-pyrazol-4-yl)phenyl)isoindoline-2-carboxylate [ No CAS ]
 

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