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CS-W001157 4
Total: USD 88.00

3,5-Diisopropoxybenzaldehyde

  • CAS No. 94169-64-9

  • Cat. No. CS-0462227
  • Purity≥98%
  • MDL No.MFCD17014848

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

3,5-Diisopropoxybenzaldehyde|CS-0462227

Structure of 94169-64-9

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General Information

  • CAS No. 94169-64-9
  • Cat. No. CS-0462227
  • Purity ≥98%
  • MDL No. MFCD17014848
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈O₃
  • Molecular Weight 222.28
  • Synonym(s) 3,5-diisopropyloxyphenylcarboxaldehyde
  • SMILES CC(C)OC1=CC(=CC(=C1)C=O)OC(C)C

Synthesis

  • Route1
    • null|null
      951776-82-2
    • ~83%
    • 3,5-Diisopropoxybenzaldehyde|CS-0462227
      94169-64-9

    References

    • Fei, Zhongbo; McDonald, Frank E. Organic Letters, 2007 , vol. 9, # 18 p. 3547 - 3550
  • Route2
    • 3,5-Diisopropoxybenzoic Acid|CS-0771317
      150242-82-3
    • ~%
    • (3,5-Diisopropoxyphenyl)methanol|CS-0679288
      94169-63-8
    • 3,5-Diisopropoxybenzaldehyde|CS-0462227
      94169-64-9

    References

    • St. John, Sarah E.; Jensen, Katherine C.; Kang, Soosung; Chen, Yafang; Calamini, Barbara; Mesecar, Andrew D.; Lipton, Mark A. Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 19 p. 6022 - 6037
  • Route3

    References

    • Fei, Zhongbo; McDonald, Frank E. Organic Letters, 2007 , vol. 9, # 18 p. 3547 - 3550

Safety Information

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

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   3.0735
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   5

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