(2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate | CAS No. 915095-99-7

(2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

Basic Information

CAS Number

915095-99-7

Molecular Formula

C31H35ClO11

Molecular Weight

619.06 g/mol

AD

Basic Physical Properties

CC(=O)OCC1C(C(C(C(O1)C2=CC(=C(C=C2)Cl)CC3=CC=C(C=C3)OC4CCOC4)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C31H35ClO11/c1-17(33)38-16-27-29(39-18(2)34)31(41-20(4)36)30(40-19(3)35)28(43-27)22-7-10-26(32)23(14-22)13-21-5-8-24(9-6-21)42-25-11-12-37-15-25/h5-10,14,25,27-31H,11-13,15-16H2,1-4H3/t25-,27+,28-,29+,30-,31-/m0/s1

InChIKey

IVTYEGRDCQLUJE-KTUPMIEBSA-N

LogP

3.896600000000003

Topological Polar Surface Area

132.89000000000004 Ų

Hydrogen Bond Donor/Acceptor

0 / 11

Complexity

967

Synonyms & References

English

  • (1S)-1,5-anhydro-2,3,4,6-tetra-O-acteyl-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydrofu-ran-3-yl]oxy]phenyl] methyl]phenyl]-D-Glucitol
  • Acetoxy Empagliflozin
  • BCP17275
  • [(2R,4R)-3,4,5-Triacetyloxy-6-[4-chloro-3-[[4-(oxolan-3-yloxy)phenyl]methyl]phenyl]oxan-2-yl]methyl
  • D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-, tetraacetate, (1S)- (9CI)
  • Peracetyl Empagliflozin
  • (2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
  • D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]-phenyl]methyl]phenyl]-, 2,3,4,6-tetraacetate, (1S)
  • D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-, 2,3,4,6-tetraacetate, (1S)-
  • D5AR7LVU55
  • D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-, tetraacetate, (1S)-
  • [(2R,3R,4R,5S,6S)-3,4,5-Triacetyloxy-6-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]oxan-2-yl]methyl acetate
  • SCHEMBL1714371
  • ZB1712
  • (2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-(4-(((S)-te; Trahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
  • (1S)-1,5-Anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-D-glucito
  • BS-51344
  • F71486
  • Peracetyl Empagliflozin; D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-, 2,3,4,6-tetraacetate, (1S)- (ACI); D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-, tetraacetate, (1S)-
  • PeracetylEmpagliflozin
  • (2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyltriacetate
  • 915095-99-7

MDL Number

MFCD28978546

FAQ

What are the physical and chemical properties of (2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate (CAS: 915095-99-7)?

This compound is a white crystalline solid with a high molecular weight. It has a low solubility in water but is more soluble in organic solvents like methanol and acetone. Chemically, it is reactive towards nucleophiles and bases due to the presence of the acetoxy and triacetyl groups. It also exhibits some reactivity towards electrophiles, particularly at the tetrahydrofuran ring positions.

How is (2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate (CAS: 915095-99-7) typically synthesized?

This compound is typically synthesized via a multi-step process involving alkylation, acetylation, and condensation reactions. Commonly, Grignard reagents and acetyl chloride are used as reagents. The synthesis involves careful control of temperature and pH to achieve high yield and selectivity.

What industries use (2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate (CAS: 915095-99-7)?

This compound is primarily used in the pharmaceutical and polymer industries due to its unique chemical structure. It can be employed as an intermediate in the synthesis of drug molecules and as a building block for specialized polymers with specific properties.

What precautions should be taken when handling (2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate (CAS: 915095-99-7)?

When handling this compound, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up immediately using an appropriate solvent, and the area should be thoroughly rinsed. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

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