2-Methyl-2-propanyl [(4S,6R)-6-(chloromethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate | CAS No. 521973-99-9

2-Methyl-2-propanyl [(4S,6R)-6-(chloromethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

Basic Information

CAS Number

521973-99-9

Molecular Formula

C13H23ClO4

Molecular Weight

278.78 g/mol

AD

Basic Physical Properties

Boiling Point

326.2±22.0 °C(Predicted)

Density

1.045±0.06 g/cm3(Predicted)

CC1(O[C@@H](C[C@@H](O1)CCl)CC(=O)OC(C)(C)C)C

InChI

InChI=1S/C13H23ClO4/c1-12(2,3)18-11(15)7-9-6-10(8-14)17-13(4,5)16-9/h9-10H,6-8H2,1-5H3/t9-,10+/m0/s1

InChIKey

TXLXWCARAPIXGH-VHSXEESVSA-N

LogP

2.8672000000000013

Topological Polar Surface Area

44.760000000000005 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Synonyms & References

English

  • Rosuvastatin Related Compound 6
  • Rosuvastatin Impurity 93
  • Rosuvastatin Related Compound
  • 1,3-Dioxane-4-acetic acid, 6-(chloromethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S,6R)-

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl [(4S,6R)-6-(chloromethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate (CAS: 521973-99-9)?

2-Methyl-2-propanyl [(4S,6R)-6-(chloromethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate is a colorless liquid with a molecular weight of 334.03 g/mol. It has a specific gravity of 1.03 and is soluble in organic solvents such as ethanol and acetone. Chemically, it is reactive and prone to hydrolysis under acidic conditions. It is also sensitive to light and should be stored in a dark, cool place.

How is 2-Methyl-2-propanyl [(4S,6R)-6-(chloromethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate (CAS: 521973-99-9) typically synthesized?

This compound is typically synthesized via a Wittig reaction between the appropriate aldehyde and the corresponding dialkyl phosphorite, followed by a series of steps including chloromethylation and esterification. The process is selective and yields up to 90% of the desired product. Catalysts such as tetrabutylammonium fluoride are commonly used to improve reaction rates.

What industries use 2-Methyl-2-propanyl [(4S,6R)-6-(chloromethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate (CAS: 521973-99-9)?

This compound is used in various industries, including pharmaceuticals for its role as an intermediate in the synthesis of certain drugs, and in the manufacturing of polymers and sensors. It is also relevant in the semiconductor industry for its use in specific chemical processes. Its applications are primarily in the production of advanced materials and chemical intermediates.

What precautions should be taken when handling 2-Methyl-2-propanyl [(4S,6R)-6-(chloromethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate (CAS: 521973-99-9)?

When handling this compound, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight. Handling should occur in a well-ventilated area or under a fume hood. Spills should be managed carefully, and the Material Safety Data Sheet (MSDS) should be consulted for specific instructions. This compound is toxic and corrosive, so proper disposal methods should be followed.

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