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CS-W001157 4
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Methyl benzoxazole-5-carboxylate

  • CAS No. 924869-17-0

  • Cat. No. CS-0028769
  • Purity≥96%
  • MDL No.None

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

Methyl benzoxazole-5-carboxylate|CS-0028769

Structure of 924869-17-0

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General Information

  • CAS No. 924869-17-0
  • Cat. No. CS-0028769
  • Purity ≥96%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₃
  • Molecular Weight 177.16
  • Synonym(s) 5-(Methoxycarbonyl)benzoxazole; Methyl benzo[d]oxazole-5-carboxylate
  • SMILES O=C(C1=CC=C(OC=N2)C2=C1)OC

Description

Methyl benzoxazole-5-carboxylate is a bench-stable heterocyclic ester featuring a fused benzoxazole core with a strategically positioned ester group. This configuration enables direct incorporation into synthetic sequences requiring electron-deficient aromatic handles, facilitating efficient coupling reactions in pharmaceutical and materials development workflows.

Application

Methyl benzoxazole-5-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to heterocyclic scaffolds via cross-coupling and nucleophilic substitution reactions. Its stability under standard synthetic conditions and compatibility with diverse functional groups facilitate straightforward derivatization for API development.

Synthesis

  • Route1
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      Orthocaine|CS-W005637
      536-25-4
    • ~%
    • In-stock
      Methyl benzoxazole-5-carboxylate|CS-0028769
      924869-17-0

    References

    • Organic Letters, , vol. 12, # 15 p. 3567 - 3569
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    References

    • Journal fuer Praktische Chemie (Leipzig), , vol. <2> 92, p. 265
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      64-18-6
    • In-stock
      Orthocaine|CS-W005637
      536-25-4
    • ~%
    • In-stock
      Methyl benzoxazole-5-carboxylate|CS-0028769
      924869-17-0

    References

    • Journal of Heterocyclic Chemistry, , vol. 45, # 4 p. 1187 - 1190

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   52.33
  • LogP   1.6144
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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