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CS-W001157 4
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Methyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate

  • CAS No. 33577-98-9

  • Cat. No. CS-0327740
  • Purity≥97%
  • MDL No.None

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

Methyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate|CS-0327740

Structure of 33577-98-9

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General Information

  • CAS No. 33577-98-9
  • Cat. No. CS-0327740
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄O₃
  • Molecular Weight 218.25
  • Synonym(s) Methyl 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate
  • SMILES CC(C)(C#CC1=CC=C(C=C1)C(=O)OC)O

Synthesis

  • Route1

    References

    • Katzsch, Felix; Eissmann, Diana; Weber, Edwin Structural Chemistry, 2012 , vol. 23, # 1 p. 245 - 255
  • Route2

    References

    • Rosowsky, Andre; Forsch, Ronald A.; Sibley, Carol Hopkins; Inderlied, Clark B.; Queener, Sherry F. Journal of Medicinal Chemistry, 2004 , vol. 47, # 6 p. 1475 - 1486
  • Route3

    References

    • Journal of Polymer Science, Part A: Polymer Chemistry, , vol. 49, # 1 p. 211 - 224

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
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.5956
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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