CAS 1258640-97-9

Methyl 5-(chlorosulfonyl)-1-isoquinolinecarboxylate

Description:

Methyl 5-(chlorosulfonyl)-1-isoquinolinecarboxylate is a chemical compound characterized by its isoquinoline structure, which is a bicyclic aromatic compound. The presence of a chlorosulfonyl group indicates that it has both chlorine and sulfonyl functional groups, contributing to its reactivity and potential applications in organic synthesis. This compound typically exhibits properties such as being a solid at room temperature and may have moderate solubility in organic solvents. The chlorosulfonyl group can act as a good electrophile, making the compound useful in various chemical reactions, including nucleophilic substitutions. Its methyl ester functionality suggests it can undergo hydrolysis to yield the corresponding carboxylic acid. Methyl 5-(chlorosulfonyl)-1-isoquinolinecarboxylate may be of interest in medicinal chemistry and materials science due to its potential biological activity and utility in the synthesis of more complex molecules. As with many sulfonyl compounds, it may also exhibit specific reactivity patterns that can be exploited in synthetic pathways. Proper handling and safety measures should be observed due to the presence of reactive functional groups.

Formula: C₁₁H₈ClNO₄S

InChI: InChI=1S/C11H8ClNO4S/c1-17-11(14)10-8-3-2-4-9(18(12,15)16)7(8)5-6-13-10/h2-6H,1H3

InChI key: InChIKey=KMMDYPRLJSHLQD-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C2=C(C(S(Cl)(=O)=O)=CC=C2)C=CN1

Synonyms:

• 1-Isoquinolinecarboxylic acid, 5-(chlorosulfonyl)-, methyl ester
• Methyl 5-(chlorosulfonyl)-1-isoquinolinecarboxylate

Methyl 5-(chlorosulfonyl)isoquinoline-1-carboxylate

CAS: 1258640-97-9

Versatile small molecule scaffold

Formula: C₁₁H₈ClNO₄S

Purity: Min. 95%

Molecular weight: 285.7 g/mol

Ref: 3D-IAC64097