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(2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate | CAS No. 461432-25-7

(2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

Basic Information

Chemical_Structure_Of
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CAS Number

461432-25-7

Molecular Formula

C29H33ClO10

Molecular Weight

577.03 g/mol

AD

Basic Physical Properties

Solubility

Insuluble (7.5E-4 g/L) (25 ºC),

SMILES

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CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Cl

InChI

InChI=1S/C29H33ClO10/c1-6-35-23-10-7-20(8-11-23)13-22-14-21(9-12-24(22)30)26-28(38-18(4)33)29(39-19(5)34)27(37-17(3)32)25(40-26)15-36-16(2)31/h7-12,14,25-29H,6,13,15H2,1-5H3/t25-,26+,27-,28+,29+/m1/s1

InChIKey

DKOQYKRDCDCNOR-ZCCUTQAASA-N

LogP

4.127600000000004

Topological Polar Surface Area

123.66000000000001 Ų

Hydrogen Bond Donor/Acceptor

0 / 10

Complexity

873

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H332 Harmful if inhaled
Acute toxicity, inhalation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • (2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
  • Dapagliflozin-A3
  • (2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro....
  • (2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)-phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
  • 2,3,4,6-tetra-O-acetyl-1-{4-chloro-3-[(4-ethyloxyphenyl)methyl]phenyl}-1-deoxy-beta-D-glucopyranose
  • 2,3,4,6-TETRA-O-ACETYL-1-{4-CHLORO-3-[(4-ETHYLOXYPHENYL)METHYL]PHENYL}-1-DEOXY-Β-D-GLUCOPYRANOSE
  • Dapagliflozin Tetraacetate
  • D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)Methyl]phenyl]-, tetraacetate, (1S)-
  • Acetyl Dapagliflozin
  • acetic acid (2R,3R,4R,5S,6S)-3,4,5-triacetoxy-6-[4-chloro-3-(4-ethoxy-benzyl)-phenyl]-tetrahydro-pyran-2-ylmethyl ester
  • acetic acid (2R,3R,4R,SS,6S)-3,4,5-triacetoxy-6-[4-chloro-3-{4-ethoxy-benzyl}-phenyl]-tetrahydro-pyran-2-ylmethyl ester
  • AK-94296
  • ANW-54287
  • CTK8B6767
  • KB-206467
  • SureCN208112
  • [(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]oxan-2-yl]methyl acetate
  • (1S)-1,5-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-D-glucitol tetraacetate
  • DKOQYKRDCDCNOR-ZCCUTQAASA-N
  • C29H33ClO10
  • 6348AB
  • D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-, tetraacetate, (1S)- (9CI)
  • 2R,3R,4R,5S,6S)-2-(AcetoxyMethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
  • AKOS015999910
  • CID 10415783
  • DTXSID50439487
  • DS-17942
  • SCHEMBL208112
  • EC 930-010-9
  • CS-0009472
  • [(2R,3R,4R,5S,6S)-3,4,5-TRIS(ACETYLOXY)-6-{4-CHLORO-3-[(4-ETHOXYPHENYL)METHYL]PHENYL}OXAN-2-YL]METHYL ACETATE

MDL Number

MFCD22494949

FAQ

What are the physical and chemical properties of (2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate (CAS: 461432-25-7)?
The compound (2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate has a crystalline form, with a molecular weight of approximately 779.45 g/mol. It is poorly soluble in water but soluble in organic solvents like acetonitrile. The compound exhibits limited reactivity, primarily through ester groups. It can react with bases to form sodium salts.

How is (2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate (CAS: 461432-25-7) typically synthesized?
This compound is typically synthesized through a multi-step process involving acetylation and coupling reactions. The synthesis involves the use of catalysts like palladium-based catalysts, and the reaction yields are generally moderate to good. The reactions are performed under optimized conditions to achieve the desired stereochemistry and purity.

What industries use (2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate (CAS: 461432-25-7)?
This compound is primarily used in the pharmaceutical industry for the synthesis of complex organic molecules. It is also utilized in the polymer industry for functionalizing polymers and in the sensor industry for developing highly sensitive detection systems. Additionally, it has potential applications in the semiconductor industry for specific chemical treatments.

What precautions should be taken when handling (2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate (CAS: 461432-25-7)?
When handling this compound, ensure the use of personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up by using appropriate absorbents and disposing of the waste according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

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(2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate — HePeng （ ShangHai ） Biotechnology Co Ltd

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(2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate — Shanghai Yuyeh Biotechnology Co., Ltd.

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(2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate — ShangHaiYiJiShengWuKeJiYouXianGongSiXiaoShouBu

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(2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate — Hubei Dahao Chemical Co., Ltd.

Hubei Dahao Chemical Co., Ltd.

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(2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate — ShangHaiJiZhiShengHua Technology Co Ltd

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