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CS-W001157 4
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Methyl 2-methoxy-3-nitrobenzoate

  • CAS No. 90564-26-4

  • Cat. No. CS-0130926
  • Purity≥98%
  • MDL No.MFCD11045625

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

Methyl 2-methoxy-3-nitrobenzoate|CS-0130926

Structure of 90564-26-4

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General Information

  • CAS No. 90564-26-4
  • Cat. No. CS-0130926
  • Purity ≥98%
  • MDL No. MFCD11045625
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₅
  • Molecular Weight 211.17
  • Synonym(s) METHYL-2-METHOXY-3-NITROBENZOATE
  • SMILES O=C(OC)C1=CC=CC([N+]([O-])=O)=C1OC

Description

Methyl 2-methoxy-3-nitrobenzoate features a nitro group positioned ortho to the ester, enhancing electrophilicity for nucleophilic substitution. The methoxy substituent provides electron-donating character, modulating reactivity in cross-coupling and functionalization sequences. This bench-stable derivative serves as a key intermediate in pharmaceutical synthesis and fine chemical development.

Application

Methyl 2-methoxy-3-nitrobenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized aromatic scaffolds. The ortho-dinitro substitution pattern facilitates selective transformations, while the methyl ester and methoxy groups provide orthogonal handles for further derivatization. Its bench-stable nature and compatibility with standard coupling and reduction protocols make it well-suited for medicinal chemistry and process development workflows.

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   78.67
  • LogP   1.39
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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