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[ CAS No. 325142-93-6 ]

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2D
Chemical Structure| 325142-93-6
Chemical Structure| 325142-93-6
Structure of 325142-93-6 *Storage: {[proInfo.prStorage]}

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Product Details of [ 325142-93-6 ]

CAS No. :325142-93-6MDL No. :MFCD10000955
Formula : C14H21BO2 Boiling Point : 330.219°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :232.13Pubchem ID :-
Synonyms :

Computed Properties of [ 325142-93-6 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 325142-93-6 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313UN#:N/A
Hazard Statements:H315-H319Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 325142-93-6 ]

  • Upstream synthesis route of [ 325142-93-6 ]
  • Downstream synthetic route of [ 325142-93-6 ]

[ 325142-93-6 ] Synthesis Path-Upstream   1~6

  • 1
  • [ 325142-93-6 ]
  • [ 461-97-2 ]
YieldReaction ConditionsOperation in experiment
51% With 1-fluoro-2,4,6-trimethylpyridinium hexafluorophosphate; (tBuCN)2Cu*OTf; silver fluoride In tetrahydrofuran at 50℃; for 18 h; Inert atmosphere General procedure: To an oven-dried 4 mL vial was added arene (0.1 mmol, 1.0 equiv), and 0.2 mL of a stock solution containing 0.1 molpercent [Ir(COD)OMe]2, 0.2 molpercent 4,4'-di-tert-butyl bipyridine (dtbpy), and 0.75 equiv of B2P i2. The vial was sealed with a Teflon-lined cap and heated at 80 °C for 18 h. The solution was allowed to cool, and the volatile components were removed in vacuo. To the crude ArBPin was added AgF (25 mg, 0.2 mmol, 2.0 equiv), ('BuCN^CuOTf (76 mg, 0.2 mmol, 2.0 equiv), Me3pyF-PF6 (86 mg, 0.3 mmol, 3.0 equiv) and THF (2.0 mL). The vial was sealed with a Teflon-lined cap and heated at 50 °C with vigorous stirring for 18 h. The solution was allowed to cool to room temperature, and 1 1.0 (0.1 mmol, 1.0 equiv) of l-bromo-4-fluorobenzene was added as an internal standard. The crude reaction mixture was analyzed by 19F NMR spectroscopy to determine the yield of aryl fluoride. 19F NMR chemical shifts were compared to authentic samples of the aryl fluoride product to confirm the identity of the product, and the identities of the products were further confirmed by GC/MS.
Reference: [1] Patent: WO2014/107379, 2014, A1, . Location in patent: Paragraph 00122
[2] Journal of the American Chemical Society, 2013, vol. 135, # 7, p. 2552 - 2559
  • 2
  • [ 325142-93-6 ]
  • [ 556-96-7 ]
Reference: [1] Journal of the American Chemical Society, 2007, vol. 129, # 50, p. 15434 - 15435
  • 3
  • [ 325142-93-6 ]
  • [ 22445-41-6 ]
Reference: [1] Organic Letters, 2013, vol. 15, # 1, p. 140 - 143
  • 4
  • [ 506-78-5 ]
  • [ 325142-93-6 ]
  • [ 22445-42-7 ]
  • [ 22445-41-6 ]
Reference: [1] Organic Letters, 2015, vol. 17, # 19, p. 4670 - 4673
  • 5
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  • [ 172975-69-8 ]
Reference: [1] Organic Letters, 2007, vol. 9, # 5, p. 757 - 760
[2] Organic Letters, 2007, vol. 9, # 5, p. 761 - 764
  • 6
  • [ 325142-93-6 ]
  • [ 1256781-74-4 ]
Reference: [1] Organic Letters, 2010, vol. 12, # 23, p. 5474 - 5477
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