(1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl]-1-thio-D-glucitol | CAS No. 898537-18-3

(1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl]-1-thio-D-glucitol

Basic Information

CAS Number

898537-18-3

Molecular Formula

C23H30O6S

Molecular Weight

434.55 g/mol

AD

Basic Physical Properties

Melting Point

155.0-157.0℃

CCOc1ccc(cc1)Cc2cc(c(cc2C)OC)[C@H]3[C@@H]([C@H]([C@@H]([C@H](S3)CO)O)O)O

InChI

InChI=1S/C23H30O6S/c1-4-29-16-7-5-14(6-8-16)10-15-11-17(18(28-3)9-13(15)2)23-22(27)21(26)20(25)19(12-24)30-23/h5-9,11,19-27H,4,10,12H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1

InChIKey

WHSOLWOTCHFFBK-ZQGJOIPISA-N

LogP

2.2246200000000007

Topological Polar Surface Area

99.38000000000001 Ų

Hydrogen Bond Donor/Acceptor

4 / 6

Synonyms & References

English

  • D-Glucitol, 1,5-dideoxy-1,5-epithio-1-C-[5-[(4-ethoxyphenyl)methyl]-2-methoxy-4-methylphenyl]-, (1S)-
  • (2S,3R,4R,5S,6R)-2-[5-[(4-ethoxyphenyl)methyl]-2-methoxy-4-methylphenyl]-6-(hydroxymethyl)thiane-3,4,5-triol
  • Luseogliflozin
  • (1S)-1,5-Dideoxy-1,5-epithio-1-C-[5-[(4-ethoxyphenyl)methyl]-2-methoxy-4-methylphenyl]-D-glucitol (ACI)
  • (2S,3R,4R,5S,6R)-2-(5-(4-Ethoxybenzyl)-2-methoxy-4-methylphenyl)-6-(hydroxymethyl)tetrahydro-2H-thiopyran-3,4,5-triol
  • TS 071

MDL Number

MFCD18251435

FAQ

What are the physical and chemical properties of (1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl]-1-thio-D-glucitol (CAS: 898537-18-3)?

(1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl]-1-thio-D-glucitol is a crystalline compound with a molecular weight of approximately 458.4 g/mol. It has limited aqueous solubility, with solubility varying depending on the pH. The compound is reactive, particularly towards nucleophiles and reducing agents. It can be used in various organic reactions, such as esterifications and reductions.

How is (1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl]-1-thio-D-glucitol (CAS: 898537-18-3) typically synthesized?

(1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl]-1-thio-D-glucitol can be synthesized via a multi-step process involving protection of the hydroxy groups, followed by benzyl substitution and subsequent deprotection. This process typically utilizes mild conditions and specific catalysts to ensure high selectivity and yield. The exact synthesis route may vary depending on the starting materials and desired product purity.

What industries use (1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl]-1-thio-D-glucitol (CAS: 898537-18-3)?

(1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl]-1-thio-D-glucitol is primarily used in the pharmaceutical industry for its potential as a precursor in the synthesis of complex organic molecules. It can also find applications in the polymer industry for the development of novel materials, and in the chemical industry for various organic transformations and as a reagent in bioconjugation reactions.

What precautions should be taken when handling (1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl]-1-thio-D-glucitol (CAS: 898537-18-3)?

When handling (1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl]-1-thio-D-glucitol, it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be handled carefully using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.

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