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Diethyl but-3-en-1-ylphosphonate

  • CAS No. 15916-48-0

  • Cat. No. CS-0535635
  • Purity97% (stabilized with TBC)
  • MDL No.MFCD06200726

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

Diethyl but-3-en-1-ylphosphonate|CS-0535635

Structure of 15916-48-0

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General Information

  • CAS No. 15916-48-0
  • Cat. No. CS-0535635
  • Purity 97% (stabilized with TBC)
  • MDL No. MFCD06200726
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₇O₃P
  • Molecular Weight 192.19
  • Synonym(s) Diethyl 3-butenylphosphonate
  • SMILES CCOP(=O)(CCC=C)OCC

Synthesis

  • Route1

    References

    • Suzuki, Itaru; Kiyokawa, Kensuke; Yasuda, Makoto; Baba, Akio Organic Letters, 2013 , vol. 15, # 7 p. 1728 - 1731
  • Route2
    • null|null
      5162-44-7
    • null|null
      762-04-9
    • ~67%
    • Diethyl but-3-en-1-ylphosphonate|CS-0535635
      15916-48-0

    References

    • Beecham p.l.c. Patent: US5166198 A1, 1992 ;
  • Route3
    • null|null
      5162-44-7
    • null|null
      122-52-1
    • ~73%
    • Diethyl but-3-en-1-ylphosphonate|CS-0535635
      15916-48-0

    References

    • Beauchamp, Lilia M.; Tuttle, Joel V.; Rodriguez, Martha E.; Sznaidman, Marcos L. Journal of Medicinal Chemistry, 1996 , vol. 39, # 4 p. 949 - 956

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   2.8286
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   7

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