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CS-W001157 4
Total: USD 88.00

Pent-4-yn-1-yl 4-methylbenzenesulfonate

  • CAS No. 77758-50-0

  • Cat. No. CS-0109787
  • Purity≥98%
  • MDL No.None

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

Pent-4-yn-1-yl 4-methylbenzenesulfonate|CS-0109787

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General Information

  • CAS No. 77758-50-0
  • Cat. No. CS-0109787
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₃S
  • Molecular Weight 238.30
  • Synonym(s) 4-Pentynyl p-Tosylate
  • SMILES CC1=CC=C(S(OCCCC#C)(=O)=O)C=C1

Synthesis

  • Route1

    References

    • Caldarelli, Sergio A.; El Fangour, Siham; Wein, Sharon; Tran Van Ba, Christophe; Perigaud, Christian; Pellet, Alain; Vial, Henri J.; Peyrottes, Suzanne Journal of Medicinal Chemistry, 2013 , vol. 56, # 2 p. 496 - 509
  • Route2

    References

    • Zammit, Steven C.; Cox, Alison J.; Gow, Renae M.; Zhang, Yuan; Gilbert, Richard E.; Krum, Henry; Kelly, Darren J.; Williams, Spencer J. Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 24 p. 7003 - 7006
  • Route3

    References

    • Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 1215 - 1224

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   43.37
  • LogP   2.11372
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   5

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