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CAS 82586-60-5

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3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, 1,1-dimethylethyl ester, hydrochloride (1:1), (3S)-

Description:
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, 1,1-dimethylethyl ester, hydrochloride (1:1), (3S)-, is a chemical compound characterized by its isoquinoline structure, which is a bicyclic aromatic compound. This substance features a tetrahydroisoquinoline moiety, indicating that it has undergone partial hydrogenation, resulting in a saturated ring system. The presence of a carboxylic acid functional group suggests it can participate in various chemical reactions, such as esterification or amidation. The "1,1-dimethylethyl ester" portion indicates that the compound has an ester functional group derived from a branched alkyl chain, which can influence its solubility and reactivity. The hydrochloride salt form indicates that the compound is protonated, enhancing its solubility in polar solvents, which is often beneficial for pharmaceutical applications. The stereochemistry denoted by (3S) suggests a specific three-dimensional arrangement of atoms, which can significantly affect the compound's biological activity and interactions. Overall, this compound may have potential applications in medicinal chemistry, particularly in the development of pharmaceuticals.
Formula:C14H19NO2ClH
InChI:InChI=1S/C14H19NO2.ClH/c1-14(2,3)17-13(16)12-8-10-6-4-5-7-11(10)9-15-12;/h4-7,12,15H,8-9H2,1-3H3;1H/t12-;/m0./s1
InChI key:InChIKey=NNKSEUBQDFHGAC-YDALLXLXSA-N
SMILES:C(OC(C)(C)C)(=O)[C@@H]1CC=2C(CN1)=CC=CC2.Cl
Synonyms:
  • (S)-tert-Butyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride
  • 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, 1,1-dimethylethyl ester, hydrochloride (1:1), (3S)-
  • 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, 1,1-dimethylethyl ester, hydrochloride, (S)-
  • 3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, 1,1-dimethylethyl ester, hydrochloride, (S)- (9CI)
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