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Chemical Structure| 1190095-10-3 Chemical Structure| 1190095-10-3

Structure of 1190095-10-3

Chemical Structure| 1190095-10-3

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Product Details of [ 1190095-10-3 ]

CAS No. :1190095-10-3
Formula : C16H25BN2O4
M.W : 320.19
SMILES Code : O=C(N1CCN(CC2=CC=C(B(O)O)C=C2)CC1)OC(C)(C)C
MDL No. :MFCD18384135
InChI Key :MFIQWUMSXLZAIK-UHFFFAOYSA-N
Pubchem ID :42609724

Safety of [ 1190095-10-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 1190095-10-3 ]

* 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 [ 1190095-10-3 ]

[ 1190095-10-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 876343-10-1 ]
  • [ 1190095-10-3 ]
  • tert-butyl 4-(4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzyl)piperazine-1-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
1.938 g With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; caesium carbonate; In 1,4-dioxane; water; at 100℃; for 4h;Inert atmosphere; A mixture of <strong>[876343-10-1]4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine</strong> (3.60 g, 12.88 mmol), Cs2C03 (10.5 g, 32.2 mmol) and 4-(4-t-Boc-piperazinomethyl)phenylboronic acid (4.95 g, 15.46 mmol) in dioxane/water 1 :1 (100 ml) was degassed with argon. Then PdCI2(dppf)-CH2Cl2 adduct (1.052 g, 1.288 mmol) was added and the RM was stirred at 100C for 4 h. The RM was cooled to RT and then partitioned between EtOAc and water. Layers were separated, and the precipitate contained in the organic layer was filtered to afford 2.18 g of the title compound as a brown powder. The resulting filtrate was washed with brine, dried over MgS04 and concentrated to afford 4.65 g of the crude product. The crude product was triturated in ACN/Et20, filtered and dried under reduced pressure to afford 1 .938 g more of the title compound as beige solid.LC-MS (Method A): Rt = 0.81 min, [M+H]+ = 428.2/430.2.
 

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