946525-39-9

Usage

Chemical structure

A complex organic molecule with a benzene ring as the central core.

Chloro group

The presence of a chlorine atom (-Cl) attached to the benzene ring.

Glucopyranosyl group

A β-D-glucopyranosyl unit, which is a monosaccharide derived from glucose, attached to the benzene ring.

Isopropoxy-benzyl group

A 4-isopropoxy-benzyl moiety, which consists of an isopropoxy group (-O-CH(CH3)2) and a benzyl group (-CH2-C6H5), attached to the benzene ring.

Potential applications

The compound may have applications in the pharmaceutical industry or as a building block for organic synthesis.

Research and development

Its unique structure and diverse functional groups make it an interesting target for research and development in the field of medicinal chemistry.

Pharmaceutical properties

Further studies on 1-chloro-4-(β-D-glucopyranos-1-yl)-2-(4-isopropoxy-benzyl)-benzene could provide insights into its pharmaceutical properties and potential therapeutic uses.

Molecular weight

Approximately 449.9 g/mol (calculated from the molecular formula).

Functional groups

The compound contains several functional groups, including a chloro group, an ether, an alcohol, and an aromatic ring.

Stereochemistry

The presence of a β-D-glucopyranosyl unit suggests that the compound has stereochemistry associated with the glucose molecule.

Solubility

The compound's solubility profile is not provided, but it may be influenced by the presence of polar and nonpolar functional groups.

Stability

The stability of the compound under various conditions (e.g., temperature, pH, light) is not provided but would be an important factor to consider for its potential applications.

Syntheses

The synthesis of 1-chloro-4-(β-D-glucopyranos-1-yl)-2-(4-isopropoxy-benzyl)-benzene would likely involve multiple steps, including the formation of the benzene ring, attachment of the functional groups, and possible protection/deprotection steps.

Analytical techniques

Techniques such as nuclear magnetic resonance (NMR), mass spectrometry (MS), and infrared (IR) spectroscopy could be used to analyze and confirm the structure of 1-chloro-4-(β-D-glucopyranos-1-yl)-2-(4-isopropoxy-benzyl)-benzene.

Relevant academic research and scientific papers

GLUCOPYRANOSYL-SUBSTITUTED BENZONITRILE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE

Glucopyranosyl-substituted benzonitrile derivative of formula (I) are disclosed, wherein R3 denotes hydrogen, fluorine, chlorine, bromine, iodine, methyl, ethyl, propyl, isopropyl, butyl, sec-butyl, iso-butyl, tert-butyl, 3-methyl-but-1-yl, cyclopropyl, cyclobutyl, cyclopentyl, cyclohexyl, difluoromethyl, trifluoromethyl, pentafluoroethyl, 2-hydroxyl-ethyl, hydroxymethyl, 3-hydroxy-propyl, 2-hydroxy-2-methyl-prop-1 -yl, 3- hydroxy-3-methyl-but-1-yl, 1-hydroxy-1-methyl-ethyl, 2,2,2-trifluoro-1-hydroxy-1-methyl-ethyl, 2,2,2-trifluoro-1-hydroxy-1 -trifluoromethyl-ethyl, 2-methoxy-ethyl, 2-ethoxy-ethyl, hydroxy, methyloxy, ethyloxy, isopropyloxy, difluoromethyloxy, trifluoromethyloxy, cyclobutyloxy, cyclopentyloxy, cyclohexyloxy, (S)-tetrahydrofuran-3-yloxy, (R)-tetrahydrofuran-3-yloxy, tetrahydropyran-4-yloxy, 1-acetyl-piperidin-4-yloxy, 2-methyloxy-ethyloxy, methylsulfanyl, methylsulfinyl, methylsulfonyl, ethylsulfinyl, ethylsulfonyl, trimethylsilyl and cyano, or a derivative thereof wherein one or more hydroxyl groups of the β-D-glucopyranosyl group are acylated with groups selected from (C1-18-alkyl)carbonyl, (C1-18-alkyl)oxycarbonyl, phenylcarbonyl and phenyl-(C1-3-alkyl)-carbonyl; including tautomers, stereoisomers thereof or mixtures thereof; and physiologically acceptable salts thereof. The compounds according to the invention are suitable for the treatment of metabolic disorders.