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1-(4-Chlorophenyl)cyclobutane-1-carboxylic acid

  • CAS No. 50921-39-6

  • Cat. No. CS-0132704
  • Purity≥98%
  • MDL No.MFCD00001324

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

1-(4-Chlorophenyl)cyclobutane-1-carboxylic acid|CS-0132704

Structure of 50921-39-6

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General Information

  • CAS No. 50921-39-6
  • Cat. No. CS-0132704
  • Purity ≥98%
  • MDL No. MFCD00001324
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁ClO₂
  • Molecular Weight 210.66
  • Synonym(s) TIMTEC-BB SBB003443
  • SMILES O=C(C1(C2=CC=C(Cl)C=C2)CCC1)O

Description

This cyclobutane carboxylic acid features a para-chlorophenyl substituent, delivering enhanced lipophilicity and metabolic stability. The rigid cyclobutane scaffold imparts conformational constraint, ideal for probing receptor binding pockets in medicinal chemistry. Bench-stable and compatible with standard synthetic workflows.

Application

1-(4-Chlorophenyl)cyclobutane-1-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive scaffolds through standard functional group transformations. Its cyclobutane core provides conformational rigidity, while the para-chlorophenyl and carboxylic acid groups offer orthogonal reactivity for derivatization, amide coupling, and metal-catalyzed cross-couplings. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis campaigns in API development.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.8463
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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