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CS-W001157 4
Total: USD 88.00

1-Ethynyl-2-(trifluoromethoxy)benzene

  • CAS No. 886363-40-2

  • Cat. No. CS-0042736
  • Purity≥98%
  • MDL No.MFCD03839994

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

1-Ethynyl-2-(trifluoromethoxy)benzene|CS-0042736

Structure of 886363-40-2

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General Information

  • CAS No. 886363-40-2
  • Cat. No. CS-0042736
  • Purity ≥98%
  • MDL No. MFCD03839994
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅F₃O
  • Molecular Weight 186.13
  • Synonym(s) 2'-TRIFLUOROMETHOXYPHENYL ACETYLENE
  • SMILES FC(F)(F)OC1=CC=CC=C1C#C

Description

1-Ethynyl-2-(trifluoromethoxy)benzene features a terminal alkyne paired with a strongly electron-withdrawing trifluoromethoxy group, enabling efficient copper-catalyzed coupling reactions. The molecule exhibits excellent stability under standard conditions and integrates readily into complex molecular architectures via click chemistry.

Application

1-Ethynyl-2-(trifluoromethoxy)benzene serves as a versatile building block in transition-metal-catalyzed coupling reactions, enabling efficient access to conjugated arylalkynes. Its trifluoromethoxy group imparts enhanced metabolic stability and lipophilicity, while the terminal alkyne functionality facilitates Sonogashira, Glaser, and Hiyama couplings. The compound exhibits excellent bench stability and is compatible with a broad range of functional groups, making it well-suited for the synthesis of advanced pharmaceutical intermediates and functional materials.

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 : H227-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   9.23
  • LogP   2.5665
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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