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CS-W001157 4
Total: USD 88.00

2,4-Dichlorophenethyl alcohol

  • CAS No. 81156-68-5

  • Cat. No. CS-W010738
  • Purity≥95%
  • MDL No.MFCD00192010

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

2,4-Dichlorophenethyl alcohol|CS-W010738

Structure of 81156-68-5

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General Information

  • CAS No. 81156-68-5
  • Cat. No. CS-W010738
  • Purity ≥95%
  • MDL No. MFCD00192010
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈Cl₂O
  • Molecular Weight 191.05
  • Synonym(s) 2,4-Dichlorophenethylalcohol
  • SMILES ClC1=CC=C(C(Cl)=C1)CCO

Description

2,4-Dichlorophenethyl alcohol offers a robust phenethyl scaffold bearing two chlorine substituents at the ortho and para positions of the aromatic ring. This configuration imparts enhanced electron-withdrawing character and improved metabolic stability, making it valuable for medicinal chemistry applications. The primary alcohol functionality enables straightforward derivatization through esterification or ether formation, facilitating its integration into complex molecular architectures.

Application

2,4-Dichlorophenethyl alcohol serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and functionalized aromatic scaffolds. Its benzylic hydroxyl group facilitates straightforward derivatization via esterification, etherification, or oxidation to the corresponding aldehyde. The ortho- and para-chlorine substituents provide sites for palladium-catalyzed cross-coupling reactions, enhancing its utility in late-stage functionalization. Bench-stable and compatible with standard purification protocols, it functions effectively in multi-step syntheses requiring moderate functional group tolerance.

Synthesis

  • Route1

    References

    • The Regents of the University of Michigan Patent: US6342501 B1, 2002 ; Location in patent: Scheme 2 ;

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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   2.5282
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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