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CS-W001157 4
Total: USD 88.00

3-(4-(Tert-butyl)phenyl)prop-2-en-1-ol

  • CAS No. 117721-77-4

  • Cat. No. CS-0354831
  • Molecule weight190.28
  • Purity≥98%
  • MDL No.None

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

3-(4-(Tert-butyl)phenyl)prop-2-en-1-ol|CS-0354831

Structure of 117721-77-4

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General Information

  • CAS No. 117721-77-4
  • Cat. No. CS-0354831
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈O
  • Molecular Weight 190.28
  • Synonym(s) 3-(4-Tert-butylphenyl)prop-2-en-1-ol
  • SMILES OCC=CC1=CC=C(C(C)(C)C)C=C1

Synthesis

  • Route1
    • Ethyl (E)-3-(4-(tert-butyl)phenyl)acrylate|CS-0298732
      158010-17-4
    • ~93%
    • 3-(4-(Tert-butyl)phenyl)prop-2-en-1-ol|CS-0354831
      117721-77-4

    References

    • Hosoya, Naoki; Hatayama, Akira; Irie, Ryo; Sasaki, Hidehiko; Katsuki, Tsutomu Tetrahedron, 1994 , vol. 50, # 15 p. 4311 - 4322
  • Route2
    • Methyl (E)-3-(4-(tert-butyl)phenyl)acrylate|CS-0272564
      36215-20-0
    • ~%
    • 3-(4-(Tert-butyl)phenyl)prop-2-en-1-ol|CS-0354831
      117721-77-4

    References

    • Doherty, Elizabeth M.; Fotsch, Christopher; Bo, Yunxin; Chakrabarti, Partha P.; Chen, Ning; Gavva, Narender; Han, Nianhe; Kelly, Michael G.; Kincaid, John; Klionsky, Lana; Liu, Qingyian; Ognyanov, Vassil I.; Tamir, Rami; Wang, Xianghong; Zhu, Jiawang; Norman, Mark H.; Treanor, James J. S. Journal of Medicinal Chemistry, 2005 , vol. 48, # 1 p. 71 - 90
  • Route3
    • null|null
      939-97-9
    • ~%
    • 3-(4-(Tert-butyl)phenyl)prop-2-en-1-ol|CS-0354831
      117721-77-4

    References

    • Hosoya, Naoki; Hatayama, Akira; Irie, Ryo; Sasaki, Hidehiko; Katsuki, Tsutomu Tetrahedron, 1994 , vol. 50, # 15 p. 4311 - 4322

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

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   2.9896
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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