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CS-W001157 4
Total: USD 88.00

3-(3-Methylphenyl)prop-2-ynoic acid

  • CAS No. 29835-27-6

  • Cat. No. CS-0122135
  • Purity≥98%
  • MDL No.MFCD14707282

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

3-(3-Methylphenyl)prop-2-ynoic acid|CS-0122135

Structure of 29835-27-6

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General Information

  • CAS No. 29835-27-6
  • Cat. No. CS-0122135
  • Purity ≥98%
  • MDL No. MFCD14707282
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈O₂
  • Molecular Weight 160.17
  • Synonym(s) None
  • SMILES O=C(O)C#CC1=CC=CC(C)=C1

Description

3-(3-Methylphenyl)prop-2-ynoic acid features a conjugated alkyne-carboxylic acid scaffold paired with a sterically accessible methyl-substituted phenyl group. This structure enables direct integration into Sonogashira coupling reactions and facilitates downstream derivatization in synthetic organic chemistry workflows.

Application

3-(3-Methylphenyl)prop-2-ynoic acid serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted phenylacetylenes and functionalized heterocycles. Its terminal alkyne and carboxylic acid functionalities provide orthogonal reactivity for coupling reactions, including Sonogashira cross-couplings and amide formations. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis in medicinal chemistry and materials science applications.

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.43112
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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