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[ CAS No. 953039-63-9 ]

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2D
Chemical Structure| 953039-63-9
Chemical Structure| 953039-63-9
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Product Details of [ 953039-63-9 ]

CAS No. :953039-63-9MDL No. :MFCD18382554
Formula : C8H3BrClFN2 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :261.48Pubchem ID :59199299
Synonyms :

Computed Properties of [ 953039-63-9 ]

TPSA : 25.8 H-Bond Acceptor Count : 3
XLogP3 : 3.3 H-Bond Donor Count : 0
SP3 : 0.00 Rotatable Bond Count : 0

Safety of [ 953039-63-9 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 953039-63-9 ]

  • Upstream synthesis route of [ 953039-63-9 ]
  • Downstream synthetic route of [ 953039-63-9 ]

[ 953039-63-9 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 953039-62-8 ]
  • [ 953039-63-9 ]
YieldReaction ConditionsOperation in experiment
89% at 110℃; for 1.00 h; Step 5. 8-Bromo-2-chloro-6-fluoroquinazolineA 0.5M suspension of 8-bromo-6-fluoroquinazolin-2-ol in phosphorus oxychloride was heated to 110 0C in an oil bath. The suspension was turned to a brown color solution in 20min. LCMS data showed that the reaction was complete after 1 h. The phosphorus oxychloride was removed by concentration. The residue was mixed with ice water, and adjusted pH to 7 by adding sodium bicarbonate. Reaction mixture was extracted with ethyl acetate. Combined organic phase was washed with water, brine, dried over sodium sulfate and concentrated to give desired product in 89percent yield. ES/MS m/z 261/263 (MH+).
Reference: [1] Patent: WO2007/117607, 2007, A2. Location in patent: Page/Page column 332
[2] Patent: EP3287463, 2018, A1. Location in patent: Paragraph 0203; 0212
[3] Patent: US2018/208604, 2018, A1. Location in patent: Paragraph 0510-0511
  • 2
  • [ 259269-84-6 ]
  • [ 953039-63-9 ]
Reference: [1] Patent: EP3287463, 2018, A1
[2] Patent: US2018/208604, 2018, A1
[3] Patent: WO2007/117607, 2007, A2
  • 3
  • [ 55414-45-4 ]
  • [ 953039-63-9 ]
Reference: [1] Patent: EP3287463, 2018, A1
[2] Patent: US2018/208604, 2018, A1
[3] Patent: WO2007/117607, 2007, A2
  • 4
  • [ 446-08-2 ]
  • [ 953039-63-9 ]
Reference: [1] Patent: EP3287463, 2018, A1
[2] Patent: US2018/208604, 2018, A1
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