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CS-W001157 4
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2-Methoxy-5-nitronicotinic acid

  • CAS No. 1020635-54-4

  • Cat. No. CS-0043372
  • Purity≥97%
  • MDL No.MFCD11052413

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

2-Methoxy-5-nitronicotinic acid|CS-0043372

Structure of 1020635-54-4

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General Information

  • CAS No. 1020635-54-4
  • Cat. No. CS-0043372
  • Purity ≥97%
  • MDL No. MFCD11052413
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆N₂O₅
  • Molecular Weight 198.13
  • Synonym(s) 2-Methoxy-5-nitro-nicotinic acid
  • SMILES O=C(C1=CC([N+]([O-])=O)=CN=C1OC)O

Description

2-Methoxy-5-nitronicotinic acid features a nitro group at the para position relative to the carboxylic acid, enhancing electrophilicity for cross-coupling reactions. The methoxy substituent provides steric and electronic modulation, improving solubility and stability under standard conditions. This derivative serves as a key building block in synthesizing bioactive heterocycles and functionalized pharmaceutical intermediates.

Application

2-Methoxy-5-nitronicotinic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of functionalized heterocycles and bioactive scaffolds. Its ortho-methoxy and meta-nitro substituents provide complementary reactivity for selective transformations, including palladium-catalyzed couplings and controlled reduction sequences. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis workflows in API development.

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   102.56
  • LogP   0.6966
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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