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CS-W001157 4
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3-Methyl-2-phenylbutanoic acid

  • CAS No. 3508-94-9

  • Cat. No. CS-0059235
  • Purity≥98%
  • MDL No.None

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

3-Methyl-2-phenylbutanoic acid|CS-0059235

Structure of 3508-94-9

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General Information

  • CAS No. 3508-94-9
  • Cat. No. CS-0059235
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₂
  • Molecular Weight 178.23
  • Synonym(s) 3-Methyl-2-phenylbutyric acid
  • SMILES O=C(O)C(C(C)C)C1=CC=CC=C1

Description

3-Methyl-2-phenylbutanoic acid features a chiral α-carbon flanked by a phenyl group and a methyl substituent, delivering enhanced steric and electronic modulation. This configuration imparts favorable stability and solubility characteristics, enabling efficient incorporation into complex molecular architectures. The carboxylic acid functionality facilitates direct derivatization or conjugation in synthetic pathways.

Application

3-Methyl-2-phenylbutanoic acid serves as a versatile chiral building block in medicinal chemistry, enabling the synthesis of bioactive molecules through established functional group transformations. Its α-branched structure provides enhanced metabolic stability and structural rigidity, while its carboxylic acid functionality facilitates direct derivatization or coupling reactions. The compound exhibits good bench stability and is readily purified by recrystallization, making it suitable for scalable synthesis workflows.

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

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.5108
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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