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5-(benzyloxy)-N-methyl-2-nitroaniline

  • CAS No. 496837-94-6

  • Cat. No. CS-0030148
  • Molecule weight258.27
  • Purity≥98%
  • MDL No.MFCD24448841

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

5-(benzyloxy)-N-methyl-2-nitroaniline|CS-0030148

Structure of 496837-94-6

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General Information

  • CAS No. 496837-94-6
  • Cat. No. CS-0030148
  • Purity ≥98%
  • MDL No. MFCD24448841
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₄N₂O₃
  • Molecular Weight 258.27
  • Synonym(s) 5-benzyloxy-N-methyl-2-nitroaniline
  • SMILES O=[N+](C1=CC=C(OCC2=CC=CC=C2)C=C1NC)[O-]

Synthesis

  • Route1

    References

    • OTSUKA PHARMACEUTICAL CO., LTD. Patent: US2012/149899 A1, 2012 ; Location in patent: Page/Page column 10 ;
  • Route2

    References

    • Seth, Punit P.; Robinson, Dale E.; Jefferson, Elizabeth A.; Swayze, Eric E. Tetrahedron Letters, 2002 , vol. 43, # 41 p. 7303 - 7306
  • Route3

    References

    • OTSUKA PHARMACEUTICAL CO., LTD. Patent: US2012/149899 A1, 2012 ;

Safety Information

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Computational Chemistry Data

  • TPSA   64.4
  • LogP   3.2155
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   5

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