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CAS 668276-44-6

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Methyl 4-amino-3-methyl-5-nitrobenzoate

Description:
Methyl 4-amino-3-methyl-5-nitrobenzoate, identified by its CAS number 668276-44-6, is an organic compound that belongs to the class of benzoate esters. This substance features a methyl ester functional group, an amino group, and a nitro group, which contribute to its chemical reactivity and properties. The presence of the amino group suggests potential for hydrogen bonding, while the nitro group can influence the compound's electronic properties and reactivity. Typically, compounds of this nature are characterized by moderate solubility in organic solvents and limited solubility in water, due to their hydrophobic aromatic structure. Methyl 4-amino-3-methyl-5-nitrobenzoate may exhibit biological activity, making it of interest in pharmaceutical research. Its synthesis often involves the nitration of a suitable precursor followed by esterification and amination steps. Safety data should be consulted for handling, as nitro compounds can be sensitive and potentially hazardous. Overall, this compound exemplifies the diverse functionalities that can be achieved through careful molecular design in organic chemistry.
Formula:C9H10N2O4
InChI:InChI=1S/C9H10N2O4/c1-5-3-6(9(12)15-2)4-7(8(5)10)11(13)14/h3-4H,10H2,1-2H3
InChI key:InChIKey=DCBDOCUUDHFUSW-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(N(=O)=O)=C(N)C(C)=C1
Synonyms:
  • Benzoic acid, 4-amino-3-methyl-5-nitro-, methyl ester
  • 3-Nitro-4-amino-5-methylbenzoic acid methyl ester
  • Methyl 4-amino-3-methyl-5-nitrobenzoate
  • methyl 3-nitro-4-amino-5-methylbenzoate
  • Benzoic acid, 4-amino-3-methyl-5-nitro-, methyl ester (9CI)
  • 3-nitro-4-amino-5-methyl-benzoic acid methyl ester
  • 4-Amino-3-methyl-5-nitro-benzoic acid methyl ester
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