CAS 1260650-61-0

Methyl 3-chloro-4-[[(1,1-dimethylethoxy)carbonyl]amino]benzoate

Description:

Methyl 3-chloro-4-[[(1,1-dimethylethoxy)carbonyl]amino]benzoate, identified by its CAS number 1260650-61-0, is a chemical compound that belongs to the class of benzoate esters. This substance features a chloro substituent on the benzene ring, which can influence its reactivity and solubility. The presence of the dimethylethoxycarbonyl group indicates that it has protective or modifying functionalities, often used in organic synthesis to enhance stability or reactivity. The methyl ester group contributes to its solubility in organic solvents and may also affect its biological activity. The compound's structure suggests potential applications in pharmaceuticals or agrochemicals, where modifications to the benzoate framework can lead to desired biological properties. Additionally, the presence of chlorine may impart unique electronic characteristics, influencing the compound's interaction with biological targets. Overall, this compound exemplifies the complexity and versatility of organic molecules in chemical synthesis and application.

Formula: C₁₃H₁₆ClNO₄

InChI: InChI=1S/C13H16ClNO4/c1-13(2,3)19-12(17)15-10-6-5-8(7-9(10)14)11(16)18-4/h5-7H,1-4H3,(H,15,17)

InChI key: InChIKey=ZTBCMQMONWSBNB-UHFFFAOYSA-N

SMILES: N(C(OC(C)(C)C)=O)C1=C(Cl)C=C(C(OC)=O)C=C1

Synonyms:

• Methyl 3-chloro-4-[[(1,1-dimethylethoxy)carbonyl]amino]benzoate
• Benzoic acid, 3-chloro-4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester