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CS-W001157 4
Total: USD 88.00

2-Cyclopropyl-2-phenylacetic acid

  • CAS No. 5689-18-9

  • Cat. No. CS-0225125
  • Molecule weight176.21
  • Purity≥95%
  • MDL No.None

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

2-Cyclopropyl-2-phenylacetic acid|CS-0225125

Structure of 5689-18-9

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General Information

  • CAS No. 5689-18-9
  • Cat. No. CS-0225125
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₂
  • Molecular Weight 176.21
  • Synonym(s) None
  • SMILES C1=CC=C(C=C1)C(C2CC2)C(=O)O

Description

2-Cyclopropyl-2-phenylacetic acid features a sterically hindered benzylic carbon bearing both cyclopropyl and phenyl substituents, enhancing its metabolic stability. This structural motif enables robust integration into bioactive scaffolds, particularly in CNS-targeted pharmaceuticals and kinase inhibitors, where lipophilicity and conformational rigidity are critical.

Application

2-Cyclopropyl-2-phenylacetic acid serves as a valuable chiral building block in medicinal chemistry, enabling the synthesis of bioactive molecules through established functional group transformations. Its rigid, sterically defined structure facilitates controlled stereochemistry in downstream applications. The molecule exhibits good bench stability and is compatible with standard coupling protocols, making it suitable for use in peptide conjugation and heterocycle construction.

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-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.2648
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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