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CS-W001157 4
Total: USD 88.00

1-Ethynyl-2-methoxy-4-nitrobenzene

  • CAS No. 1135283-10-1

  • Cat. No. CS-0043699
  • Purity≥96%
  • MDL No.None

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

1-Ethynyl-2-methoxy-4-nitrobenzene|CS-0043699

Structure of 1135283-10-1

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General Information

  • CAS No. 1135283-10-1
  • Cat. No. CS-0043699
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₃
  • Molecular Weight 177.16
  • Synonym(s) None
  • SMILES O=[N+](C1=CC=C(C#C)C(OC)=C1)[O-]

Description

1-Ethynyl-2-methoxy-4-nitrobenzene features a terminal alkyne group conjugated to an electron-deficient aromatic ring bearing a methoxy and nitro substituent. This combination enables efficient copper-catalyzed coupling reactions under mild conditions, offering enhanced reactivity in click chemistry applications. The molecule exhibits excellent stability and solubility in common organic solvents, facilitating straightforward handling in synthetic workflows.

Application

1-Ethynyl-2-methoxy-4-nitrobenzene serves as a versatile building block in transition-metal-catalyzed coupling reactions, enabling efficient access to conjugated aryl architectures. The ethynyl group facilitates Sonogashira and Glaser-type couplings with high functional group tolerance, while the ortho-methoxy and para-nitro substituents provide electronic modulation and synthetic handle for further derivatization. Its bench-stable nature and straightforward purification support reliable integration into multi-step syntheses of advanced intermediates.

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+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   52.37
  • LogP   1.5847
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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