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CS-W001157 4
Total: USD 88.00

3-[(Dimethylamino)methyl]benzaldehyde

  • CAS No. 80708-77-6

  • Cat. No. CS-0213456
  • Purity≥97%
  • MDL No.MFCD08060612

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

3-[(Dimethylamino)methyl]benzaldehyde|CS-0213456

Structure of 80708-77-6

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General Information

  • CAS No. 80708-77-6
  • Cat. No. CS-0213456
  • Purity ≥97%
  • MDL No. MFCD08060612
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO
  • Molecular Weight 163.22
  • Synonym(s) 3-DIMETHYLAMINOMETHYL-BENZALDEHYDE
  • SMILES CN(C)CC1=CC(=CC=C1)C=O

Synthesis

  • Route1
    • null|null
      42967-27-1
    • ~%
    • In-stock
      3-[(Dimethylamino)methyl]benzaldehyde|CS-0213456
      80708-77-6

    References

    • Astra Pharmaceuticals, Ltd. Patent: US6063789 A1, 2000 ; US 6063789 A
  • Route2
    • Methyl 3-((dimethylamino)methyl)benzoate|CS-1147715
      89999-70-2
    • ~45%
    • In-stock
      3-[(Dimethylamino)methyl]benzaldehyde|CS-0213456
      80708-77-6

    References

    • Sheng, Rong; Xu, Yu; Hu, Chunqi; Zhang, Jing; Lin, Xiao; Li, Jingya; Yang, Bo; He, Qiaojun; Hu, Yongzhou European Journal of Medicinal Chemistry, 2009 , vol. 44, # 1 p. 7 - 17
  • Route3
    • In-stock
      3-(Bromomethyl)benzaldehyde|CS-W004961
      82072-23-9
    • null|null
      124-40-3
    • ~%
    • In-stock
      3-[(Dimethylamino)methyl]benzaldehyde|CS-0213456
      80708-77-6

    References

    • Bavetsias, Vassilios; Crumpler, Simon; Sun, Chongbo; Avery, Sian; Atrash, Butrus; Faisal, Amir; Moore, Andrew S.; Brown, Nathan; Sheldrake, Peter W.; Bush, Katherine; Henley, Alan; Box, Gary; Valenti, Melanie; De Haven Brandon, Alexis; Raynaud, Florence I.; Workman, Paul; Eccles, Suzanne A.; Linardopoulos, Spiros; Blagg, Julian; Kosmopoulou, Magda; Bayliss, Richard Journal of Medicinal Chemistry, 2012 , vol. 55, # 20 p. 8721 - 8734,14 Title/Abstract Full Text Show Details Bavetsias, Vassilios; Crumpler, Simon; Sun, Chongbo; Avery, Sian; Atrash, Butrus; Faisal, Amir; Moore, Andrew S.; Kosmopoulou, Magda; Brown, Nathan; Sheldrake, Peter W.; Bush, Katherine; Henley, Alan; Box, Gary; Valenti, Melanie; De Haven Brandon, Alexis; Raynaud, Florence I.; Workman, Paul; Eccles, Suzanne A.; Bayliss, Richard; Linardopoulos, Spiros; Blagg, Julian Journal of Medicinal Chemistry, 2012 , vol. 55, # 20 p. 8721 - 8734

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅲ
Hazard Statements : H317-H318
Precautionary Statements : P261-P272-P280-P302+P352-P363-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.31
  • LogP   1.5607
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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