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Ethyl 2-(benzo[d]oxazol-2-ylthio)acetate

  • CAS No. 73824-25-6

  • Cat. No. CS-0331180
  • Purity≥98%
  • MDL No.None

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

Ethyl 2-(benzo[d]oxazol-2-ylthio)acetate|CS-0331180

Structure of 73824-25-6

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General Information

  • CAS No. 73824-25-6
  • Cat. No. CS-0331180
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₃S
  • Molecular Weight 237.27
  • Synonym(s) Ethyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
  • SMILES CCOC(=O)CSC1=NC2=CC=CC=C2O1

Synthesis

  • Route1

    References

    • Niyazymbetov, M. E.; Petrosyan, V. A.; Konyushkin, L. D.; Litvinov, V. P. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1990 , vol. 39, # 7.2 p. 1454 - 1457 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1990 , # 7 p. 1605 - 1609
  • Route2

    References

    • Rutavicius, A.; Valiulene, S.; Kuodis, Z. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1995 , vol. 31, # 5 p. 629 - 633 Khimiya Geterotsiklicheskikh Soedinenii, 1995 , # 5 p. 708 - 712
  • Route3
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    • ~%
    • Ethyl 2-(benzo[d]oxazol-2-ylthio)acetate|CS-0331180
      73824-25-6

    References

    • Hanumanthappa; Vagdevi; Vaidya; Srikrishna; Raghavendra Indian Journal of Heterocyclic Chemistry, 2010 , vol. 20, # 2 p. 121 - 124

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   52.33
  • LogP   2.483
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   4

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