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CS-W001157 4
Total: USD 88.00

Methyl 4-amino-3-(benzyloxy)-5-bromobenzoate

  • CAS No. 881909-58-6

  • Cat. No. CS-0061818
  • Purity≥97%
  • MDL No.None

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

Methyl 4-amino-3-(benzyloxy)-5-bromobenzoate|CS-0061818

Structure of 881909-58-6

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General Information

  • CAS No. 881909-58-6
  • Cat. No. CS-0061818
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₄BrNO₃
  • Molecular Weight 336.18
  • Synonym(s) methyl 4-amino-3-bromo-5-phenylmethoxybenzoate
  • SMILES COC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)N)Br

Synthesis

  • Route1
    • methyl 4-amino-3-(benzyloxy)benzoate|CS-0061823
      475215-88-4
    • ~94%
    • Methyl 4-amino-3-(benzyloxy)-5-bromobenzoate|CS-0061818
      881909-58-6

    References

    • GLAXO GROUP LIMITED Patent: WO2006/103088 A1, 2006 ; Location in patent: Page/Page column 23-24 ; WO 2006/103088 A1
  • Route2
    • Methyl 3-(benzyloxy)-4-nitrobenzoate|CS-0316352
      209528-69-8
    • ~%
    • Methyl 4-amino-3-(benzyloxy)-5-bromobenzoate|CS-0061818
      881909-58-6

    References

    • Charrier, Nicolas; Demont, Emmanuel; Dunsdon, Rachel; Maile, Graham; Naylor, Alan; O'Brien, Alistair; Redshaw, Sally; Theobald, Pam; Vesey, David; Walter, Daryl Synthesis, 2006 , # 20 p. 3467 - 3477
  • Route3

    References

    • Charrier, Nicolas; Demont, Emmanuel; Dunsdon, Rachel; Maile, Graham; Naylor, Alan; O'Brien, Alistair; Redshaw, Sally; Theobald, Pam; Vesey, David; Walter, Daryl Synthesis, 2006 , # 20 p. 3467 - 3477

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   61.55
  • LogP   3.3969
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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