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CS-W001157 4
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Ethyl 4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxylate

  • CAS No. 1013-14-5

  • Cat. No. CS-0316753
  • Molecule weight195.22
  • Purity95+%
  • MDL No.None

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

Ethyl 4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxylate|CS-0316753

Structure of 1013-14-5

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General Information

  • CAS No. 1013-14-5
  • Cat. No. CS-0316753
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO₃
  • Molecular Weight 195.22
  • Synonym(s) Ethyl 4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylate
  • SMILES CCOC(=O)C1=NOC2=C1CCCC2

Synthesis

  • Route1

    References

    • Schmitt, Daniel C.; Lam, Leighann; Johnson, Jeffrey S. Organic Letters, 2011 , vol. 13, # 19 p. 5136 - 5139
  • Route2
    • null|null
      108-94-1
    • null|null
      95-92-1
    • ~70%
    • Ethyl 4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxylate|CS-0316753
      1013-14-5

    References

    • Musatov; Starodubtseva; Rakishev; Turova; Vinogradov Russian Journal of Organic Chemistry, 2011 , vol. 47, # 8 p. 1199 - 1203

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   52.33
  • LogP   1.7301
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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