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CS-W001157 4
Total: USD 88.00

Methyl 4-methyl-3-nitrobenzoate

  • CAS No. 7356-11-8

  • Cat. No. CS-W020698
  • Purity≥97%
  • MDL No.MFCD00130054

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

Methyl 4-methyl-3-nitrobenzoate|CS-W020698

Structure of 7356-11-8

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General Information

  • CAS No. 7356-11-8
  • Cat. No. CS-W020698
  • Purity ≥97%
  • MDL No. MFCD00130054
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄
  • Molecular Weight 195.17
  • Synonym(s) Methyl3-Nitro-4-Methylbenzoate; Methyl 4-methyl-3-nitrobenzoate
  • SMILES CC1=C([N+]([O-])=O)C=C(C(OC)=O)C=C1

Description

Methyl 4-methyl-3-nitrobenzoate is a bench-stable, electron-deficient aromatic ester featuring a para-methyl and ortho-nitro substituent. This configuration enhances reactivity in nucleophilic aromatic substitution and enables direct incorporation into complex heterocycles during synthetic sequence design.

Application

Methyl 4-methyl-3-nitrobenzoate serves as a versatile synthetic intermediate in medicinal chemistry and agrochemical research. The ortho-nitro and methyl groups enable sequential functionalization, while the ester moiety supports broad reactivity in cross-coupling, reduction, and nucleophilic substitution reactions. Bench-stable and readily purified by column chromatography, it functions as a key building block for nitroaryl-containing heterocycles and bioactive scaffolds.

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      4-Methyl-3-nitrobenzoic acid|CS-0039942
      96-98-0
    • ~99%
    • In-stock
      Methyl 4-methyl-3-nitrobenzoate|CS-W020698
      7356-11-8

    References

    • WO2005/12288 A1, ; Page/Page column 181 ;
  • Route2

    References

    • US2005/154201 A1, ;
  • Route3

    References

    • Journal of Organic Chemistry USSR (English Translation), , vol. 22, p. 24 - 32 Zhurnal Organicheskoi Khimii, , vol. 22, # 1 p. 30 - 39

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   1.68982
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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