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CS-W001157 4
Total: USD 88.00

3-Benzylidenepentane-2,4-dione

  • CAS No. 4335-90-4

  • Cat. No. CS-0133571
  • Molecule weightNone
  • Purity≥98%
  • MDL No.MFCD00014990

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

3-Benzylidenepentane-2,4-dione|CS-0133571

Structure of 4335-90-4

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General Information

  • CAS No. 4335-90-4
  • Cat. No. CS-0133571
  • Purity ≥98%
  • MDL No. MFCD00014990
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂O₂
  • Molecular Weight None
  • Synonym(s) 3-Benzylidene-2,4-pentanedione
  • SMILES CC(/C(C(C)=O)=C/C1=CC=CC=C1)=O

Synthesis

  • Route1
    • null|null
      29397-21-5
    • null|null
      100-52-7
    • ~92%
    • In-stock
      3-Benzylidenepentane-2,4-dione|CS-0133571
      4335-90-4

    References

    • Liao; Huang Tetrahedron Letters, 1990 , vol. 31, # 41 p. 5897 - 5900
  • Route2
    • null|null
      100-52-7
    • null|null
      123-54-6
    • ~10%
    • In-stock
      3-Benzylidenepentane-2,4-dione|CS-0133571
      4335-90-4

    References

    • Attanasi, Orazio; Filippone, Paolino; Mei, Amedeo Synthetic Communications, 1983 , vol. 13, # 14 p. 1203 - 1208
  • Route3
    • Phenylmethylene diacetate|CS-0317610
      581-55-5
    • null|null
      123-54-6
    • ~91%
    • In-stock
      3-Benzylidenepentane-2,4-dione|CS-0133571
      4335-90-4

    References

    • Li, Zhongxian; Duan, Zheng; Wang, Huaiqiu; Tian, Rongqiang; Zhu, Qianrui; Wu, Yangjie Synlett, 2008 , # 16 p. 2535 - 2539

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: 3082
Class : 9
Packing Group : Ⅲ
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.248
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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