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Chemical Structure| 1104637-53-7 Chemical Structure| 1104637-53-7

Structure of 1104637-53-7

Chemical Structure| 1104637-53-7

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Product Details of [ 1104637-53-7 ]

CAS No. :1104637-53-7
Formula : C7H8BNO4
M.W : 180.95
SMILES Code : [C-]([B+3]12[O-]C(CN1(CC([O-]2)=O)C)=O)#C
MDL No. :MFCD11215242
InChI Key :NHVZIRZCTRJEFP-UHFFFAOYSA-N
Pubchem ID :71310651

Safety of [ 1104637-53-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 1104637-53-7 ]

* 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 [ 1104637-53-7 ]

[ 1104637-53-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 40263-57-8 ]
  • [ 1104637-53-7 ]
  • C12H11BN2O5 [ No CAS ]
  • 2
  • [ 1104637-53-7 ]
  • [ 175278-00-9 ]
  • 2-trifluoromethoxy-phenylethynylboronic acid MIDA ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
85% With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; at 30℃; for 1h;Inert atmosphere; Sealed tube; General procedure: For example, synthesis of 1,2-diphenylethyne, 3a. To an oven-dried 5 mL microwave vessel was added Pd(PPh3)2Cl2 (3.5 mg, 0.005 mmol, 2 mol %) and CuI (1.9 mg, 0.01 mmol, 4 mol %). The vessel was then capped and purged with N2 before addition of Cyrene (0.5 mL, 0.5 M), Et3N (38 muL, 0.275 mmol, 1.1 equiv), iodobenzene (27.9 muL, 0.25 mmol, 1 equiv), and phenylacetylene (28.8 muL, 0.263 mmol, 1.05 equiv). The reaction mixture was heated to 30 C and maintained at this temperature with stirring for 1 h before the vessel was vented, and decapped. The solution was then diluted with EtOAc (10 mL), and washed with water (2× 20 mL) and brine (2 × 20 mL). The organics were then passed through a hydrophobic frit and concentrated under reduced pressure to give a yellow oil, which was purified by flash chromatography (silica gel, 0-5% Et2O in petroleum ether) to afford the title compound as a white solid (44.5 mg, quant.).
 

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