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CS-W001157 4
Total: USD 88.00

2-(4-Methoxyphenyl)-2-oxoacetaldehyde

  • CAS No. 1076-95-5

  • Cat. No. CS-0364608
  • Purity≥97%
  • MDL No.None

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

2-(4-Methoxyphenyl)-2-oxoacetaldehyde|CS-0364608

Structure of 1076-95-5

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General Information

  • CAS No. 1076-95-5
  • Cat. No. CS-0364608
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₃
  • Molecular Weight 164.16
  • Synonym(s) α-Oxo-4-methoxybenzeneacetaldehyde
  • SMILES O=CC(C1=CC=C(OC)C=C1)=O

Synthesis

  • Route1

    References

    • MITSUBISHI PHARMA CORPORATION; SANOFI-SYNTHELABO Patent: WO2004/85408 A1, 2004 ; Location in patent: Page 262 ; WO 2004/085408 A1
  • Route2

    References

    • Reid, Caroline M.; Ebikeme, Charles; Barrett, Michael P.; Patzewitz, Eva-Maria; Mueller, Sylke; Robins, David J.; Sutherland, Andrew Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 7 p. 2455 - 2458
  • Route3

    References

    • Yang, Yan; Gao, Meng; Deng, Cong; Zhang, Dong-Xue; Wu, Liu-Ming; Shu, Wen-Ming; Wu, An-Xin Tetrahedron, 2012 , vol. 68, # 31 p. 6257 - 6262

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.0768
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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