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[ CAS No. 285991-71-1 ]

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2D
Chemical Structure| 285991-71-1
Chemical Structure| 285991-71-1
Structure of 285991-71-1 *Storage: {[proInfo.prStorage]}

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Product Details of [ 285991-71-1 ]

CAS No. :285991-71-1MDL No. :MFCD16040003
Formula : C9H8ClNO2 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :197.62Pubchem ID :12163147
Synonyms :

Computed Properties of [ 285991-71-1 ]

TPSA : 39.2 H-Bond Acceptor Count : 3
XLogP3 : 1.8 H-Bond Donor Count : 0
SP3 : 0.33 Rotatable Bond Count : 0

Safety of [ 285991-71-1 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 285991-71-1 ]

  • Upstream synthesis route of [ 285991-71-1 ]
  • Downstream synthetic route of [ 285991-71-1 ]

[ 285991-71-1 ] Synthesis Path-Upstream   1~6

  • 1
  • [ 145887-88-3 ]
  • [ 285991-71-1 ]
YieldReaction ConditionsOperation in experiment
76.3% at 130 - 150℃; A mixture of 1 (IV series) and phosphorus pentacloride in molar ratio 1:1.1 was heated with reflux condenser at 130-150°C for15-20 min. After cooling, crashed ice was added. Precipitated crystals were filtered, washed with water and acetone and recrystallized from ethanol. Yield 76.3 percent
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 6, p. 1571 - 1580
  • 2
  • [ 854930-11-3 ]
  • [ 285991-71-1 ]
Reference: [1] Patent: WO2005/56524, 2005, A2, . Location in patent: Page/Page column 112-113
  • 3
  • [ 285991-68-6 ]
  • [ 285991-71-1 ]
Reference: [1] Tetrahedron Letters, 2005, vol. 46, # 19, p. 3423 - 3427
[2] Synlett, 2000, # 5, p. 625 - 626
  • 4
  • [ 16498-81-0 ]
  • [ 67-64-1 ]
  • [ 145887-88-3 ]
  • [ 285991-71-1 ]
Reference: [1] Tetrahedron Letters, 2005, vol. 46, # 22, p. 3811 - 3813
  • 5
  • [ 13332-71-3 ]
  • [ 285991-71-1 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 6, p. 1571 - 1580
  • 6
  • [ 1269593-14-7 ]
  • [ 285991-71-1 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 6, p. 1571 - 1580
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