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CS-W001157 4
Total: USD 88.00

2-(P-tolyl)benzo[d]oxazol-5-amine

  • CAS No. 54995-50-5

  • Cat. No. CS-0314702
  • Molecule weight224.26
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

2-(P-tolyl)benzo[d]oxazol-5-amine|CS-0314702

Structure of 54995-50-5

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General Information

  • CAS No. 54995-50-5
  • Cat. No. CS-0314702
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₂N₂O
  • Molecular Weight 224.26
  • Synonym(s) 2-(4-Methylphenyl)-1,3-benzoxazol-5-amine
  • SMILES CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)N)O2

Synthesis

  • Route1
    • 2-(4-Methylphenyl)-5-nitrobenzoxazole|CS-0735619
      112606-69-6
    • ~58%
    • 2-(P-tolyl)benzo[d]oxazol-5-amine|CS-0314702
      54995-50-5

    References

    • Chancellor, Daniel R.; Davies, Kay E.; De Moor, Olivier; Dorgan, Colin R.; Johnson, Peter D.; Lambert, Adam G.; Lawrence, Daniel; Lecci, Cristina; Maillol, Carole; Middleton, Penny J.; Nugent, Gary; Poignant, Severine D.; Potter, Allyson C.; Price, Paul D.; Pye, Richard J.; Storer, Richard; Tinsley, Jonathon M.; Van Well, Renate; Vickers, Richard; Vile, Julia; Wilkes, Fraser J.; Wilson, Francis X.; Wren, Stephen P.; Wynne, Graham M. Journal of Medicinal Chemistry, 2011 , vol. 54, # 9 p. 3241 - 3250
  • Route2

    References

    • Chancellor, Daniel R.; Davies, Kay E.; De Moor, Olivier; Dorgan, Colin R.; Johnson, Peter D.; Lambert, Adam G.; Lawrence, Daniel; Lecci, Cristina; Maillol, Carole; Middleton, Penny J.; Nugent, Gary; Poignant, Severine D.; Potter, Allyson C.; Price, Paul D.; Pye, Richard J.; Storer, Richard; Tinsley, Jonathon M.; Van Well, Renate; Vickers, Richard; Vile, Julia; Wilkes, Fraser J.; Wilson, Francis X.; Wren, Stephen P.; Wynne, Graham M. Journal of Medicinal Chemistry, 2011 , vol. 54, # 9 p. 3241 - 3250
  • Route3
    • null|null
      99-57-0
    • ~%
    • 2-(P-tolyl)benzo[d]oxazol-5-amine|CS-0314702
      54995-50-5

    References

    • Chancellor, Daniel R.; Davies, Kay E.; De Moor, Olivier; Dorgan, Colin R.; Johnson, Peter D.; Lambert, Adam G.; Lawrence, Daniel; Lecci, Cristina; Maillol, Carole; Middleton, Penny J.; Nugent, Gary; Poignant, Severine D.; Potter, Allyson C.; Price, Paul D.; Pye, Richard J.; Storer, Richard; Tinsley, Jonathon M.; Van Well, Renate; Vickers, Richard; Vile, Julia; Wilkes, Fraser J.; Wilson, Francis X.; Wren, Stephen P.; Wynne, Graham M. Journal of Medicinal Chemistry, 2011 , vol. 54, # 9 p. 3241 - 3250

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   52.05
  • LogP   3.38542
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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