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CS-W001157 4
Total: USD 88.00

2-Chloro-4-(tert-pentyl)phenol

  • CAS No. 5323-65-9

  • Cat. No. CS-0152630
  • Molecule weight198.69
  • Purity≥95%
  • MDL No.MFCD00019993

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

2-Chloro-4-(tert-pentyl)phenol|CS-0152630

Structure of 5323-65-9

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General Information

  • CAS No. 5323-65-9
  • Cat. No. CS-0152630
  • Purity ≥95%
  • MDL No. MFCD00019993
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅ClO
  • Molecular Weight 198.69
  • Synonym(s) 4-tert-Amyl-2-chlorophenol
  • SMILES CCC(C)(C)C1=CC(=C(C=C1)O)Cl

Description

2-Chloro-4-(tert-pentyl)phenol features a sterically hindered tert-pentyl group that enhances stability and solubility in organic media. This electron-deficient phenolic scaffold enables selective coupling reactions and serves as a key intermediate in the synthesis of bioactive molecules and agrochemicals.

Application

2-Chloro-4-(tert-pentyl)phenol serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient functionalization at the phenolic position. Its tert-pentyl group provides enhanced lipophilicity and metabolic stability, while the ortho-chloro substituent facilitates downstream coupling reactions such as Suzuki-Miyaura or nucleophilic aromatic substitution. The compound exhibits excellent bench stability and is compatible with standard purification protocols, making it well-suited for scalable process development.

Synthesis

  • Route1

    References

    • Klarmann; Shternov; Gates Journal of the American Chemical Society, 1933 , vol. 55, p. 2576,2584

Safety Information

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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

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   3.7332
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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