CAS 60376-77-4

Methyl 4-chloro-3-[[[(dimethylamino)methylene]amino]sulfonyl]-5-nitrobenzoate

Description:

Methyl 4-chloro-3-[[[(dimethylamino)methylene]amino]sulfonyl]-5-nitrobenzoate, with CAS number 60376-77-4, is a synthetic organic compound characterized by its complex structure, which includes a benzoate moiety, a nitro group, and a sulfonamide functional group. This compound typically appears as a solid and is soluble in organic solvents, reflecting its polar and non-polar characteristics due to the presence of both hydrophilic and hydrophobic groups. The presence of the nitro group indicates potential reactivity, particularly in electrophilic substitution reactions. The dimethylamino group contributes to its basicity and may influence its interaction with biological systems, making it of interest in medicinal chemistry. Additionally, the chloro substituent can enhance the compound's reactivity and stability under certain conditions. Overall, this compound's unique functional groups suggest potential applications in pharmaceuticals or agrochemicals, although specific biological activity would require further investigation. Safety and handling precautions should be observed due to the presence of potentially hazardous functional groups.

Formula: C₁₁H₁₂ClN₃O₆S

InChI: InChI=1/C11H12ClN3O6S/c1-14(2)6-13-22(19,20)9-5-7(11(16)21-3)4-8(10(9)12)15(17)18/h4-6H,1-3H3

InChI key: InChIKey=CRIQOPHXBSYSOQ-UHFFFAOYSA-N

SMILES: S(N=CN(C)C)(=O)(=O)C1=C(Cl)C(N(=O)=O)=CC(C(OC)=O)=C1

Synonyms:

• Methyl 4-chloro-3-[[[(dimethylamino)methylene]amino]sulfonyl]-5-nitrobenzoate
• Benzoic acid, 4-chloro-3-[[[(dimethylamino)methylene]amino]sulfonyl]-5-nitro-, methyl ester

Methyl 4-chloro-3-{[(dimethylamino)methylene]sulfamoyl}-5-nitrobenzoate

CAS: 60376-77-4

Formula: C₁₁H₁₂ClN₃O₆S

Molecular weight: 349.75

Ref: ST-EA-CP-B36020