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Methyl 8-bromo-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylate

  • CAS No. 823225-66-7

  • Cat. No. CS-0162508
  • Molecule weight273.08
  • Purity≥95%
  • MDL No.None

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

Methyl 8-bromo-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylate|CS-0162508

Structure of 823225-66-7

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General Information

  • CAS No. 823225-66-7
  • Cat. No. CS-0162508
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉BrO₄
  • Molecular Weight 273.08
  • Synonym(s) 1,4-Benzodioxin-5-carboxylic acid, 8-bromo-2,3-dihydro-, methyl ester
  • SMILES O=C(C1=C2C(OCCO2)=C(Br)C=C1)OC

Synthesis

  • Route1
    • Methyl 8-amino-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylate|CS-0727306
      158504-37-1
    • ~%
    • In-stock
      Methyl 8-bromo-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylate|CS-0162508
      823225-66-7

    References

    • JANSSEN PHARMACEUTICA N.V. Patent: WO2005/838 A1, 2005 ; Location in patent: Page 20 ; WO 2005/000838 A1

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   44.76
  • LogP   2.0069
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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