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CS-W001157 4
Total: USD 88.00

4-Ethynyl-2-fluoro-1-methoxybenzene

  • CAS No. 120136-28-9

  • Cat. No. CS-0442357
  • Purity≥98%
  • MDL No.None

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

4-Ethynyl-2-fluoro-1-methoxybenzene|CS-0442357

Structure of 120136-28-9

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General Information

  • CAS No. 120136-28-9
  • Cat. No. CS-0442357
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇FO
  • Molecular Weight 150.15
  • Synonym(s) Benzene, 4-ethynyl-2-fluoro-1-methoxy- (9CI)
  • SMILES C#CC1=CC(=C(C=C1)OC)F

Description

4-Ethynyl-2-fluoro-1-methoxybenzene features a trifunctional aromatic core integrating an ethynyl group, a fluorine atom, and a methoxy substituent. This electron-deficient scaffold enables efficient coupling in palladium-catalyzed reactions, offering high stability under standard conditions. The strategic placement of the ethynyl moiety facilitates direct incorporation into complex molecular architectures.

Application

4-Ethynyl-2-fluoro-1-methoxybenzene serves as a versatile building block in transition-metal-catalyzed coupling reactions, enabling efficient access to conjugated aryl systems. The ethynyl group facilitates Sonogashira and Glaser-type couplings, while the fluorine and methoxy substituents provide orthogonal reactivity and enhanced metabolic stability. This compound exhibits excellent bench stability and is compatible with standard purification protocols, making it ideal for iterative synthesis 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-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   1.8156
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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