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CS-W001157 4
Total: USD 88.00

3-(2-(Dimethylamino)ethoxy)benzaldehyde

  • CAS No. 81068-25-9

  • Cat. No. CS-0373965
  • Molecule weight193.24
  • Purity95+%
  • MDL No.MFCD09675043

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

3-(2-(Dimethylamino)ethoxy)benzaldehyde|CS-0373965

Structure of 81068-25-9

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General Information

  • CAS No. 81068-25-9
  • Cat. No. CS-0373965
  • Purity 95+%
  • MDL No. MFCD09675043
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅NO₂
  • Molecular Weight 193.24
  • Synonym(s) 3-[2-(Dimethylamino)ethoxy]benzaldehyde
  • SMILES O=CC1=CC(OCCN(C)C)=CC=C1

Synthesis

  • Route1
    • 3-Hydroxybenzaldehyde Roxatidine Impurity|CS-0229483
      100-83-4
    • null|null
      107-99-3
    • ~54%
    • 3-(2-(Dimethylamino)ethoxy)benzaldehyde|CS-0373965
      81068-25-9

    References

    • Bartl; Holubek; Svatek; et al. Collection of Czechoslovak Chemical Communications, 1983 , vol. 48, # 4 p. 1173 - 1186
  • Route2
    • null|null
      108-01-0
    • 3-Hydroxybenzaldehyde Roxatidine Impurity|CS-0229483
      100-83-4
    • ~52%
    • 3-(2-(Dimethylamino)ethoxy)benzaldehyde|CS-0373965
      81068-25-9

    References

    • CEPHALON, INC.; BRESLIN, Henry J.; CURRY, Matthew A.; GINGRICH, Diane E.; LEARN, Keith S.; OTT, Gregory R.; WAGNER, Jason C. Patent: WO2013/116291 A1, 2013 ; Location in patent: Page/Page column 231 ;
  • Route3
    • null|null
      4584-46-7
    • 3-Hydroxybenzaldehyde Roxatidine Impurity|CS-0229483
      100-83-4
    • ~%
    • 3-(2-(Dimethylamino)ethoxy)benzaldehyde|CS-0373965
      81068-25-9

    References

    • Patt, William C.; Cheng, Xue-Min; Repine, Joseph T.; Lee, Chet; Reisdorph, Bill R.; Massa, Mark A.; Doherty, Annette M.; Welch, Kathleen M.; Bryant, John W.; Flynn, Michael A.; Walker, Donnelle M.; Schroeder, Richard L.; Haleen, Stephen J.; Keiser, Joan A. Journal of Medicinal Chemistry, 1999 , vol. 42, # 12 p. 2162 - 2168

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   29.54
  • LogP   1.4395
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   5

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