CAS 80036-90-4
:Methyl 5-(ethylsulfonyl)-2-methoxy-4-nitrobenzoate
Description:
Methyl 5-(ethylsulfonyl)-2-methoxy-4-nitrobenzoate, with the CAS number 80036-90-4, is an organic compound characterized by its complex structure, which includes a benzoate moiety substituted with a methoxy group, a nitro group, and an ethylsulfonyl group. This compound typically appears as a solid or crystalline substance and is soluble in organic solvents, reflecting its non-polar characteristics due to the presence of the aromatic ring. The nitro group contributes to its potential reactivity, making it a candidate for various chemical transformations. The ethylsulfonyl group enhances its solubility and may influence its biological activity, potentially making it useful in pharmaceutical applications. The methoxy group can also affect the compound's electronic properties and steric hindrance. Overall, this compound's unique functional groups suggest potential applications in medicinal chemistry, particularly in the development of new therapeutic agents. However, specific safety and handling guidelines should be followed due to the presence of the nitro group, which can be hazardous.
Formula:C11H13NO7S
InChI:InChI=1S/C11H13NO7S/c1-4-20(16,17)10-5-7(11(13)19-3)9(18-2)6-8(10)12(14)15/h5-6H,4H2,1-3H3
InChI key:InChIKey=RCOBUYURWGWJBZ-UHFFFAOYSA-N
SMILES:S(CC)(=O)(=O)C1=C(N(=O)=O)C=C(OC)C(C(OC)=O)=C1
Synonyms:- Benzoic acid, 5-(ethylsulfonyl)-2-methoxy-4-nitro-, methyl ester
- methyl 5-ethylsulfonyl-2-methoxy-4-nitro-benzoate
- Methyl 5-(ethylsulfonyl)-2-methoxy-4-nitrobenzoate
- Methyl 5-(ethylsulphonyl)-4-nitro-o-anisate
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