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Chemical Structure| 228572-69-8 Chemical Structure| 228572-69-8

Structure of 228572-69-8

Chemical Structure| 228572-69-8

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Product Details of [ 228572-69-8 ]

CAS No. :228572-69-8
Formula : C9H7F3O2
M.W : 204.15
SMILES Code : CC(C1=CC=C(C(F)(F)F)C=C1O)=O
MDL No. :MFCD09754177
InChI Key :ZZKAWIIYPNENOX-UHFFFAOYSA-N
Pubchem ID :15446449

Safety of [ 228572-69-8 ]

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

Application In Synthesis of [ 228572-69-8 ]

* 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.

  • Upstream synthesis route of [ 228572-69-8 ]
  • Downstream synthetic route of [ 228572-69-8 ]

[ 228572-69-8 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 328-90-5 ]
  • [ 917-54-4 ]
  • [ 228572-69-8 ]
References: [1] Organic Letters, 2016, vol. 18, # 15, p. 3766 - 3769.
[2] Patent: US2008/287428, 2008, A1, . Location in patent: Page/Page column 73.
[3] Patent: EP2128157, 2009, A1, . Location in patent: Page/Page column 107.
[4] Patent: WO2010/45401, 2010, A1, . Location in patent: Page/Page column 57-58.
[5] Patent: WO2010/45402, 2010, A1, . Location in patent: Page/Page column 55-56.
[6] Patent: EP1908753, 2008, A1, . Location in patent: Page/Page column 111.
[7] Patent: US2013/158067, 2013, A1, . Location in patent: Paragraph 0323.
  • 2
  • [ 59938-06-6 ]
  • [ 123-54-6 ]
  • [ 228572-69-8 ]
YieldReaction ConditionsOperation in experiment
29% With sodium hydride In tetrahydrofuran at 0℃; for 4 h; 4-Ethoxy-1,1, 1-trifluoro-3-buten-2-one (5g, 29.7 mmol) followed by 2,4-pentadione (3. 05ML, 29. 7MMOL) were added to a cooled 0 C suspension of NaH (2.38g, 59.4 mmol) in THF (120 mL). The reaction mixture was REFLUXED for 4 hrs and then partitioned between 1 N HCI and EtOAc. The organic layers were washed with brine, dried over NA2SO4 and concentrated to a red oil. Purification by flash column chromatography (0percent to 10percent EtOAc in hexanes) gave the title compound as a yellow oil (1.73g, 29percent). H NMR (400 MHz, CDC13) : 5 2.69 (s, 3 H), 7.15 (d, J=9.9 Hz, 1 H), 7.25 (s, 1 H), 7.86 (d, J=8.3 Hz, 1 H), 12.29 (s, 1 H).
References: [1] Patent: WO2004/74270, 2004, A2, . Location in patent: Page 192.
[2] Dalton Transactions, 2014, vol. 43, # 10, p. 4127 - 4136.
  • 3
  • [ 59938-06-6 ]
  • [ 123-54-6 ]
  • [ 228572-69-8 ]
References: [1] Synthesis, 1999, # 5, p. 765 - 768.
  • 4
  • [ 448-36-2 ]
  • [ 228572-69-8 ]
References: [1] Journal of Medicinal Chemistry, 2006, vol. 49, # 22, p. 6569 - 6584.
  • 5
  • [ 286441-66-5 ]
  • [ 228572-69-8 ]
References: [1] Journal of Medicinal Chemistry, 2006, vol. 49, # 22, p. 6569 - 6584.
 

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