(2S,3R,4S,5S,6R)-2-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methyl-phenyl]-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3,4,5-triol | CAS No. 1358581-37-9

(2S,3R,4S,5S,6R)-2-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methyl-phenyl]-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3,4,5-triol

Basic Information

CAS Number

1358581-37-9

Molecular Formula

C25H27FO6S

Molecular Weight

474.55 g/mol

AD

Basic Physical Properties

Solubility

Insuluble (3.2E-3 g/L) (25 ºC),

CC1=C(C=C(C=C1)C2(C(C(C(C(O2)CO)O)O)O)OC)CC3=CC=C(S3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H27FO6S/c1-14-3-6-17(25(31-2)24(30)23(29)22(28)20(13-27)32-25)11-16(14)12-19-9-10-21(33-19)15-4-7-18(26)8-5-15/h3-11,20,22-24,27-30H,12-13H2,1-2H3/t20-,22-,23+,24-,25+/m1/s1

InChIKey

UKGXVMIGVXOCSH-HFBCXCLPSA-N

LogP

2.7264200000000045

Topological Polar Surface Area

99.38000000000001 Ų

Hydrogen Bond Donor/Acceptor

4 / 6

Complexity

634

Synonyms & References

English

  • (2S,3R,4S,5S,6R)-2-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-tetrahydro-6-(hydroxymethyl)-2-methoxy-2H-pyran-3,4,5-triol
  • 2-Methoxy Canagliflozin
  • Canagliflozin Impurity 1
  • (2S,3R,4S,5S,6R)-2-(3-((5-(4-Fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol
  • SCHEMBL1777600
  • (2S,3R,4S,5S,6R)-2-[3-[[5-(4-Fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
  • 2-Methoxy Canagliflozin; a-D-Glucopyranoside, methyl 1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]- (ACI); Methyl 1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-a-D-glucopyranoside (ACI)
  • AMY16481
  • DB-214760
  • (2S,3R,4S,5S,6R)-2-(3-((5-(4-fluorophenyl)thiophen-2-yl)Methyl)-4-Methylphenyl)-tetrahydro-6-(hydroxyMethyl)-2-Methoxy-2H-pyran-3,4,5-triol
  • (2S,3R,4S,5S,6R)-2-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methyl-phenyl]-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3,4,5-triol
  • 4X975B8M4V
  • UKGXVMIGVXOCSH-HFBCXCLPSA-N
  • (2s,3r,4s,5s,6r)-2-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)tetrahydro-6-(hydroxymethyl)-2-methoxy-2h-pyran-3,4,5-triol
  • UNII-4X975B8M4V
  • 1358581-37-9
  • Methyl 1-C-[3-[[5-(4-Fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-alpha-D-glucopyranoside

MDL Number

MFCD28978477

FAQ

What regulatory guidelines apply to (2S,3R,4S,5S,6R)-2-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methyl-phenyl]-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3,4,5-triol (CAS: 1358581-37-9)?

This compound requires adherence to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazardous materials, including proper labeling and storage. Under REACH regulations, manufacturers and importers must register this substance if it is produced or imported in quantities greater than 1 ton per year. FDA and EPA regulations apply for its use in pharmaceuticals and environmental concerns, respectively. It is also important to comply with local and national regulations regarding the handling and disposal of this compound.

Are there alternatives to (2S,3R,4S,5S,6R)-2-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methyl-phenyl]-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3,4,5-triol in synthesis?

While this specific compound may not have direct alternatives, similar structural analogs such as other fluoro-substituted thiochromans can be used as synthetic precursors. Common alternative reagents in synthesis include various thioimides, thioacids, and fluoro-phenolic compounds. It's important to explore these options for achieving similar chemical functionality.

What is the market or research trend for (2S,3R,4S,5S,6R)-2-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methyl-phenyl]-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3,4,5-triol?

Market trends for this compound reflect increasing interest in novel chemical structures for pharmaceutical and material science applications. Research is focusing on the development of new synthetic methods to improve yields and reduce cost. Additionally, there is a growing focus on the environmental impact of chemical production, driving the need for more sustainable alternatives. This compound's unique properties make it a candidate for further exploration in both academic and industrial settings.

How should waste containing (2S,3R,4S,5S,6R)-2-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methyl-phenyl]-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3,4,5-triol (CAS: 1358581-37-9) be handled?

Waste containing this compound should be collected in appropriate containers and stored under appropriate conditions to prevent environmental contamination. Incineration or professional waste disposal services are recommended. Ensure that all waste handling and disposal comply with local, state, and federal regulations. Environmental protection measures should include the use of protective gear and ensuring that waste does not enter waterways or soil. It is crucial to consult the Material Safety Data Sheet (MSDS) for specific disposal instructions.

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