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Ethyl 2-(2-acetyl-4-methylphenoxy)acetate

  • CAS No. 58335-85-6

  • Cat. No. CS-0331710
  • Molecule weight236.26
  • Purity≥97%
  • MDL No.None

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

Ethyl 2-(2-acetyl-4-methylphenoxy)acetate|CS-0331710

Structure of 58335-85-6

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General Information

  • CAS No. 58335-85-6
  • Cat. No. CS-0331710
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆O₄
  • Molecular Weight 236.26
  • Synonym(s) Acetic acid, (2-acetyl-4-methylphenoxy)-, ethyl ester
  • SMILES CCOC(=O)COC1=C(C=C(C)C=C1)C(=O)C

Synthesis

  • Route1

    References

    • Suzuki, Tsuneo; Tanemura, Kiyoshi; Horaguchi, Takaaki; Shimimizu, Takahachi; Sakakibara, Tohru Journal of Heterocyclic Chemistry, 1992 , vol. 29, # 2 p. 423 - 429
  • Route2

    References

    • Nittoli, Thomas; Curran, Kevin; Insaf, Shabana; DiGrandi, Martin; Orlowski, Mark; Chopra, Rajiv; Agarwal, Atul; Howe, Anita Y. M.; Prashad, Amar; Floyd, M. Brawner; Johnson, Bernard; Sutherland, Alan; Wheless, Karen; Feld, Boris; O'Connell, John; Mansour, Tarek S.; Bloom, Jonathan Journal of Medicinal Chemistry, 2007 , vol. 50, # 9 p. 2108 - 2116
  • Route3
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    • Ethyl 2-(2-acetyl-4-methylphenoxy)acetate|CS-0331710
      58335-85-6

    References

    • Nittoli, Thomas; Curran, Kevin; Insaf, Shabana; DiGrandi, Martin; Orlowski, Mark; Chopra, Rajiv; Agarwal, Atul; Howe, Anita Y. M.; Prashad, Amar; Floyd, M. Brawner; Johnson, Bernard; Sutherland, Alan; Wheless, Karen; Feld, Boris; O'Connell, John; Mansour, Tarek S.; Bloom, Jonathan Journal of Medicinal Chemistry, 2007 , vol. 50, # 9 p. 2108 - 2116

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   2.13952
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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