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CS-W001157 4
Total: USD 88.00

Dimethyl 2-(4-hydroxybenzylidene)malonate

  • CAS No. 51947-45-6

  • Cat. No. CS-0580813
  • Molecule weight236.22
  • Purity≥98%
  • MDL No.None

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

Dimethyl 2-(4-hydroxybenzylidene)malonate|CS-0580813

Structure of 51947-45-6

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General Information

  • CAS No. 51947-45-6
  • Cat. No. CS-0580813
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂O₅
  • Molecular Weight 236.22
  • Synonym(s) Dimethyl ((4-hydroxyphenyl)methylene)malonate
  • SMILES COC(=O)C(=CC1=CC=C(C=C1)O)C(=O)OC

Synthesis

  • Route1

    References

    • Japan Tobacco Inc. Patent: US6248897 B1, 2001 ;
  • Route2

    References

    • Wang; Ma, YuDao; Zuo, BoJun Synthetic Communications, 1997 , vol. 27, # 23 p. 4107 - 4110
  • Route3

    References

    • Sidhu, Anjali; Rai, Mangat Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2009 , vol. 48, # 5 p. 735 - 736

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   72.83
  • LogP   1.1216
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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