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[ CAS No. 39547-16-5 ]

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2D
Chemical Structure| 39547-16-5
Chemical Structure| 39547-16-5
Structure of 39547-16-5 *Storage: {[proInfo.prStorage]}

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Product Details of [ 39547-16-5 ]

CAS No. :39547-16-5MDL No. :MFCD01464547
Formula : C12H13NO3 Boiling Point : 449.7°C at 760 mmHg
Linear Structure Formula :-InChI Key :N/A
M.W :219.24Pubchem ID :181137
Synonyms :

Computed Properties of [ 39547-16-5 ]

TPSA : 62.3 H-Bond Acceptor Count : 3
XLogP3 : - H-Bond Donor Count : 2
SP3 : 0.25 Rotatable Bond Count : 4

Safety of [ 39547-16-5 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P280UN#:N/A
Hazard Statements:H302-H317Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 39547-16-5 ]

  • Upstream synthesis route of [ 39547-16-5 ]
  • Downstream synthetic route of [ 39547-16-5 ]

[ 39547-16-5 ] Synthesis Path-Upstream   1~8

  • 1
  • [ 474640-47-6 ]
  • [ 39547-16-5 ]
Reference: [1] Chemical Communications, 2002, # 16, p. 1692 - 1693
  • 2
  • [ 76834-78-1 ]
  • [ 39547-16-5 ]
Reference: [1] Journal of Medicinal Chemistry, 1999, vol. 42, # 4, p. 638 - 648
[2] Angewandte Chemie - International Edition, 2016, vol. 55, # 33, p. 9671 - 9675[3] Angew. Chem., 2016, vol. 128, p. 9823 - 9827,5
  • 3
  • [ 1006-94-6 ]
  • [ 79-10-7 ]
  • [ 39547-16-5 ]
Reference: [1] Advanced Synthesis and Catalysis, 2016, vol. 358, # 18, p. 2873 - 2877
[2] Organic Letters, 2017, vol. 19, # 23, p. 6336 - 6339
  • 4
  • [ 23004-83-3 ]
  • [ 39547-16-5 ]
Reference: [1] Chemical Communications, 2002, # 16, p. 1692 - 1693
  • 5
  • [ 474640-46-5 ]
  • [ 39547-16-5 ]
Reference: [1] Chemical Communications, 2002, # 16, p. 1692 - 1693
  • 6
  • [ 100394-23-8 ]
  • [ 39547-16-5 ]
Reference: [1] Journal of Medicinal Chemistry, 1999, vol. 42, # 4, p. 638 - 648
  • 7
  • [ 90858-80-3 ]
  • [ 39547-16-5 ]
Reference: [1] Journal of Medicinal Chemistry, 1999, vol. 42, # 4, p. 638 - 648
  • 8
  • [ 1006-94-6 ]
  • [ 39547-16-5 ]
Reference: [1] Angewandte Chemie - International Edition, 2016, vol. 55, # 33, p. 9671 - 9675[2] Angew. Chem., 2016, vol. 128, p. 9823 - 9827,5
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