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CS-W001157 4
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4-(Cyclopropylmethoxy)benzaldehyde

  • CAS No. 164520-99-4

  • Cat. No. CS-0236990
  • Molecule weight176.21
  • Purity≥97%
  • MDL No.None

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

4-(Cyclopropylmethoxy)benzaldehyde|CS-0236990

Structure of 164520-99-4

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General Information

  • CAS No. 164520-99-4
  • Cat. No. CS-0236990
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₂
  • Molecular Weight 176.21
  • Synonym(s) 4-(Cyclopropylmethoxy)benzaldehyde b
  • SMILES C1CC1COC2=CC=C(C=C2)C=O

Description

4-(Cyclopropylmethoxy)benzaldehyde features a cyclopropylmethyl ether group attached to the para position of a benzaldehyde scaffold, delivering enhanced lipophilicity and metabolic stability. This structural motif enables efficient incorporation into bioactive scaffolds, particularly in medicinal chemistry campaigns targeting CNS-penetrant molecules. The aldehyde functionality supports direct derivatization via nucleophilic addition or reductive amination, facilitating rapid library generation under standard conditions.

Application

4-(Cyclopropylmethoxy)benzaldehyde serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and pharmaceutical intermediates. Its aldehyde functionality facilitates efficient reductive amination, Grignard additions, and Wittig olefination reactions. The cyclopropylmethoxy group provides favorable lipophilicity and metabolic stability, enhancing its utility in lead optimization campaigns. The compound exhibits excellent bench stability and is readily purified by flash chromatography or distillation.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.2879
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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