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CS-W001157 4
Total: USD 88.00

(E)-3-(3,4-dimethoxyphenyl)acrylaldehyde

  • CAS No. 58045-88-8

  • Cat. No. CS-0260531
  • Molecule weight192.21
  • Purity≥98%
  • MDL No.None

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

(E)-3-(3,4-dimethoxyphenyl)acrylaldehyde|CS-0260531

Structure of 58045-88-8

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General Information

  • CAS No. 58045-88-8
  • Cat. No. CS-0260531
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₃
  • Molecular Weight 192.21
  • Synonym(s) 3-(3,4-dimethoxyphenyl)prop-2-enal
  • SMILES O=CC=CC1=CC=C(OC)C(OC)=C1

Synthesis

  • Route1
    • 1,2-Dimethoxy-4-propylbenzene|CS-0695931
      5888-52-8
    • ~76%
    • (E)-3-(3,4-dimethoxyphenyl)acrylaldehyde|CS-0260531
      58045-88-8

    References

    • Sinha, Arun Kumar; Joshi, Bhupendra Prasad; Dogra, Ruchi Patent: US2002/133045 A1, 2002 ;
  • Route2
    • 3-(3,4-Dimethoxyphenyl)prop-2-en-1-ol|CS-1720415
      18523-76-7
    • ~90%
    • (E)-3-(3,4-dimethoxyphenyl)acrylaldehyde|CS-0260531
      58045-88-8

    References

    • Demin, Peter; Rounova, Olga; Grunberger, Thomas; Cimpean, Lorand; Sharfe, Nigel; Roifman, Chaim M. Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 11 p. 3019 - 3026
  • Route3
    • 1,2-Dimethoxybenzene Methoxamine  Impurity|CS-0229041
      91-16-7
    • null|null
      107-02-8
    • ~48%
    • (E)-3-(3,4-dimethoxyphenyl)acrylaldehyde|CS-0260531
      58045-88-8

    References

    • Yamada, Tomoyuki; Sakaguchi, Satoshi; Ishii, Yasutaka Journal of Organic Chemistry, 2005 , vol. 70, # 14 p. 5471 - 5474

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   1.9159
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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