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Methyl 3-formyl-2-nitrobenzoate

  • CAS No. 138229-59-1

  • Cat. No. CS-0022127
  • Purity≥95%
  • MDL No.MFCD14706049

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

Methyl 3-formyl-2-nitrobenzoate|CS-0022127

Structure of 138229-59-1

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General Information

  • CAS No. 138229-59-1
  • Cat. No. CS-0022127
  • Purity ≥95%
  • MDL No. MFCD14706049
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₅
  • Molecular Weight 209.16
  • Synonym(s) Methyl ester 3-formyl-2-nitro-Benzoate
  • SMILES O=C(OC)C1=CC=CC(C=O)=C1[N+]([O-])=O

Description

Methyl 3-formyl-2-nitrobenzoate features a strategically positioned formyl group flanked by a nitro substituent and an ester moiety, enabling its use in diverse synthetic transformations. This electron-deficient aromatic scaffold facilitates efficient coupling reactions and serves as a key intermediate in the construction of complex heterocycles and functionalized arenes under mild conditions.

Application

Methyl 3-formyl-2-nitrobenzoate serves as a versatile synthetic building block for heterocyclic scaffolds and functionalized aromatics. The ortho-nitro and formyl groups enable sequential transformations, including reductive coupling and cyclization reactions. Its bench-stable nature and compatibility with standard purification methods facilitate integration into multi-step syntheses for medicinal chemistry and materials applications.

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

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Computational Chemistry Data

  • TPSA   86.51
  • LogP   1.1939
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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