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CS-W001157 4
Total: USD 88.00

Methyl 4-(4-methoxyphenyl)-2-oxobut-3-enoate

  • CAS No. 105213-31-8

  • Cat. No. CS-0509586
  • Molecule weight220.22
  • Purity≥98%
  • MDL No.MFCD09864843

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

Methyl 4-(4-methoxyphenyl)-2-oxobut-3-enoate|CS-0509586

Structure of 105213-31-8

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General Information

  • CAS No. 105213-31-8
  • Cat. No. CS-0509586
  • Purity ≥98%
  • MDL No. MFCD09864843
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂O₄
  • Molecular Weight 220.22
  • Synonym(s) Methyl 4-(4-methoxyphenyl)-2-oxo-3-butenoate
  • SMILES O=C(OC)C(C=CC1=CC=C(OC)C=C1)=O

Synthesis

  • Route1

    References

    • Brown, Eric; Dujardin, Gilles; Maudet, Mickael Tetrahedron, 1997 , vol. 53, # 28 p. 9679 - 9694
  • Route2

    References

    • Dujardin; Leconte; Benard; Brown Synlett, 2001 , # 1 p. 147 - 149
  • Route3
    • null|null
      67-56-1
    • 4-Methoxybenzaldehyde, ≥ 99% GC|CS-0676496
      123-11-5
    • Pyruvic acid, ≥97%|CS-1268663
      127-17-3
    • ~43%
    • Methyl 4-(4-methoxyphenyl)-2-oxobut-3-enoate|CS-0509586
      105213-31-8

    References

    • Wu, Yan-Chao; Liu, Li; Li, Hui-Jing; Wang, Dong; Chen, Yong-Jun Journal of Organic Chemistry, 2006 , vol. 71, # 17 p. 6592 - 6595

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   1.4505
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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