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CS-W001157 4
Total: USD 88.00

2-Ethynyl-1,3,5-trimethoxybenzene

  • CAS No. 136612-71-0

  • Cat. No. CS-0528709
  • Molecule weight192.21
  • Purity≥95%
  • MDL No.None

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

2-Ethynyl-1,3,5-trimethoxybenzene|CS-0528709

Structure of 136612-71-0

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General Information

  • CAS No. 136612-71-0
  • Cat. No. CS-0528709
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₃
  • Molecular Weight 192.21
  • Synonym(s) 2-ETHYNYL-1,3,5-TRIMETHOXY-BENZENE
  • SMILES COC1=CC(OC)=C(C#C)C(OC)=C1

Description

2-Ethynyl-1,3,5-trimethoxybenzene features a terminal alkyne group flanked by three methoxy substituents, enabling efficient copper-catalyzed coupling reactions. This electron-rich scaffold delivers high functional group tolerance and stability under standard conditions, facilitating rapid assembly of complex architectures in synthetic organic chemistry and materials science applications.

Application

2-Ethynyl-1,3,5-trimethoxybenzene serves as a versatile building block in transition-metal-catalyzed coupling reactions, enabling efficient access to conjugated arylalkynes. The trimethoxyaryl framework provides excellent solubility and stability, while the terminal alkyne functionality facilitates reliable Sonogashira and Glaser-type couplings. Its bench-stable nature and compatibility with diverse functional groups make it ideal for constructing complex scaffolds in medicinal chemistry and materials science applications.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   27.69
  • LogP   1.6937
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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