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Structure of 1049730-10-0

Chemical Structure| 1049730-10-0

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Product Details of [ 1049730-10-0 ]

CAS No. :1049730-10-0
Formula : C9H11BO2
M.W : 161.99
SMILES Code : OB(C1=CC=CC(C2CC2)=C1)O
MDL No. :MFCD11110340
InChI Key :BFFVQXUPALEVGS-UHFFFAOYSA-N
Pubchem ID :45158859

Safety of [ 1049730-10-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 1049730-10-0 ]

* 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 [ 1049730-10-0 ]

[ 1049730-10-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 5419-55-6 ]
  • [ 1798-85-2 ]
  • [ 1049730-10-0 ]
YieldReaction ConditionsOperation in experiment
60% A solution of <strong>[1798-85-2]1-bromo-3-cyclopropylbenzene</strong> (2.0 g, 10 mmol) in THF (24 mL) was cooled to -78 C, n-butyllithium solution in hexanes (1.6 M, 12.7 mL, 20.3 mmol) was added and the mixture was stirred for 30 min before adding triisopropylborate (3.06 mL, 13.2 mmol). The mixture was stirred for 45 min and then the reaction mixture was warmed to room temperature. After 1 h the reaction was quenched with aqueous 2 M HCl (100 mL) and extracted with EtOAc (3 * 100 mL). The combined organic layers were passed through a hydrophobic frit and concentrated in vacuo. The residue was recrystallised from the minimum amount of hot TBME and the crystals were dried in vacuo to afford 6d (1.16 g, 60%): LCMS (System A) RT = 0.80 min, 97% (no mass ion observed); 1H NMR (CD3OD, 400 MHz) 7.52-7.44 (1H, m), 7.37-7.28 (1H, m), 7.25-7.15 (1H, m), 7.12-7.06 (1H, m), 1.94-1.84 (1H, m), 0.97-0.88 (2H, m), 0.69-0.63 (2H, m).
 

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[ 1049730-10-0 ]

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