CAS 1142198-09-1

Methyl 3,4,5-triethoxy-2-nitrobenzoate

Description:

Methyl 3,4,5-triethoxy-2-nitrobenzoate is an organic compound characterized by its complex structure, which includes a nitro group and multiple ethoxy substituents on a benzoate framework. This compound typically appears as a yellow to orange solid or liquid, depending on its purity and specific conditions. It is soluble in organic solvents such as ethanol and dichloromethane but may have limited solubility in water due to its hydrophobic ethoxy groups. The presence of the nitro group introduces significant polarity and can influence the compound's reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. Methyl 3,4,5-triethoxy-2-nitrobenzoate may also exhibit interesting biological activities, which can be explored in pharmaceutical or agrochemical contexts. Safety data should be consulted for handling and storage, as compounds with nitro groups can sometimes be sensitive to heat or shock. Overall, this compound's unique structure and properties make it a subject of interest in synthetic organic chemistry.

Formula: C₁₄H₁₉NO₇

InChI: InChI=1S/C14H19NO7/c1-5-20-10-8-9(14(16)19-4)11(15(17)18)13(22-7-3)12(10)21-6-2/h8H,5-7H2,1-4H3

InChI key: InChIKey=JTOUBRGMBGEYAA-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(OCC)C(OCC)=C(OCC)C=C1C(OC)=O

Synonyms:

• Methyl 3,4,5-triethoxy-2-nitrobenzoate
• Benzoic acid, 3,4,5-triethoxy-2-nitro-, methyl ester