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CS-W001157 4
Total: USD 88.00

Methyl 2-methoxy-4-methyl-5-nitrobenzoate

  • CAS No. 1057652-79-5

  • Cat. No. CS-M1059
  • Molecule weight225.20
  • Purity≥98%
  • MDL No.None

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

Methyl 2-methoxy-4-methyl-5-nitrobenzoate|CS-M1059

Structure of 1057652-79-5

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General Information

  • CAS No. 1057652-79-5
  • Cat. No. CS-M1059
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₅
  • Molecular Weight 225.20
  • Synonym(s) methyl 2-methoxy-4-methyl-5-aminobenzoate
  • SMILES CC1=C([N+]([O-])=O)C=C(C(OC)=O)C(OC)=C1

Synthesis

  • Route1

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; BOEHRINGER INGELHEIM PHARMA GMBH and CO KG Patent: WO2004/65367 A1, 2004 ; Location in patent: Page 153 ; WO 2004/065367 A1
  • Route2
    • 2-Methoxy-4-methyl-5-nitrobenzoic acid|CS-0372582
      90763-12-5
    • ~%
    • In-stock
      Methyl 2-methoxy-4-methyl-5-nitrobenzoate|CS-M1059
      1057652-79-5

    References

    • Ogata, Masaru; Matsumoto, Hiroshi; Kida, Shiro; Shiomi, Teruo; Eigyo, Masami; Hirose, Katsumi Journal of Medicinal Chemistry, 1984 , vol. 27, # 9 p. 1137 - 1141

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   1.69842
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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