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CS-W001157 4
Total: USD 88.00

1-Methoxy-3-methyl-2-nitrobenzene

  • CAS No. 5345-42-6

  • Cat. No. CS-W017845
  • Purity≥98%
  • MDL No.MFCD00007179

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

1-Methoxy-3-methyl-2-nitrobenzene|CS-W017845

Structure of 5345-42-6

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General Information

  • CAS No. 5345-42-6
  • Cat. No. CS-W017845
  • Purity ≥98%
  • MDL No. MFCD00007179
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₃
  • Molecular Weight None
  • Synonym(s) N-(2,5-dimethylphenyl)-2,4,6-trimethylbenzenesulfonamide
  • SMILES O=[N+](C1=C(C)C=CC=C1OC)[O-]

Description

1-Methoxy-3-methyl-2-nitrobenzene features a nitro group flanked by electron-donating methoxy and methyl substituents, creating a unique electronic profile ideal for directed ortho-metalation. This arrangement enables selective functionalization in complex synthesis pathways, particularly in pharmaceutical intermediates and advanced materials. The compound exhibits excellent stability under standard bench conditions and demonstrates favorable solubility in common organic solvents.

Application

1-Methoxy-3-methyl-2-nitrobenzene serves as a versatile ortho-substituted aromatic building block in synthetic organic chemistry. Its nitro group enables subsequent reduction to an amino function, while the methoxy and methyl groups provide steric and electronic modulation for directed metallation or electrophilic substitution. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for use in pharmaceutical intermediate synthesis and heterocyclic scaffold construction.

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-H319
Precautionary Statements : P264-P270-P280-P301+P310-P305+P351+P338-P330-P337+P313-P501

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Computational Chemistry Data

  • TPSA   52.37
  • LogP   1.91182
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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