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CS-W001157 4
Total: USD 88.00

3-(Pyrrolidin-1-ylmethyl)benzaldehyde

  • CAS No. 884507-42-0

  • Cat. No. CS-0374119
  • Purity≥98%
  • MDL No.MFCD07782420

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

3-(Pyrrolidin-1-ylmethyl)benzaldehyde|CS-0374119

Structure of 884507-42-0

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General Information

  • CAS No. 884507-42-0
  • Cat. No. CS-0374119
  • Purity ≥98%
  • MDL No. MFCD07782420
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅NO
  • Molecular Weight 189.25
  • Synonym(s) 3-(PYRROLIDIN-1-YLMETHYL)BENZALDEHYDE 97
  • SMILES O=CC1=CC=CC(CN2CCCC2)=C1

Synthesis

  • Route1

    References

    • Gilead Sciences, Inc. Patent: US2010/143301 A1, 2010 ; Location in patent: Page/Page column 44 ;
  • Route2
    • Methyl 3-(pyrrolidin-1-ylmethyl)benzoate|CS-0314920
      321198-22-5
    • ~47%
    • 3-(Pyrrolidin-1-ylmethyl)benzaldehyde|CS-0374119
      884507-42-0

    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

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

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Computational Chemistry Data

  • TPSA   20.31
  • LogP   2.0949
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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