Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate

Basic Information

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CAS Number

78086-72-3

Molecular Formula

C8H14O4

Molecular Weight

174.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

243.8°C at 760 mmHg

Density

1.06 g/mL at 20 °C

Refractive Index

n20/D 1.422

Specific Rotation

19 º (c=4% in chloroform)

SMILES

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CC1C(OC(O1)(C)C)C(=O)OC

InChI

InChI=1S/C8H14O4/c1-5-6(7(9)10-4)12-8(2,3)11-5/h5-6H,1-4H3/t5-,6+/m0/s1

InChIKey

AELKYRWKHKGMAD-NTSWFWBYSA-N

LogP

0.6994

Topological Polar Surface Area

44.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

188

Safety Information

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GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3.2 Class 3.2

Synonyms & References

English

DTXSID60357426
DS-16457
Methyl (2R,3S)-2,3-O-isopropylidene-2,3-dihydroxybutyrate
F51894
MFCD00077802
78086-72-3
Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate, technical, >=90% (sum of enantiomers, GC)
(4R,5S)-Methyl 2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
AKOS015915846
(4R,5S)-Methyl2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
CS-W000681
AKOS015850838
A839332
SCHEMBL7204854
4-Deoxy-2,3-O-isopropylidene-L-threonic acid methyl ester
Methyl 4-deoxy-2,3-O-isopropylidene-L-threonate
Methyl (2R,3S)-2,3-O-Isopropylidene-2,3-Dihydroxybutyrate

MDL Number

MFCD00077802

Customs Code

2932999099

FAQ

What is Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate (CAS: 78086-72-3)?

Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate (CAS: 78086-72-3) is an organocarbonyl compound with the molecular formula C7H12O4. It is a colorless to light yellow liquid with a characteristic odor. This compound is used in the synthesis of various pharmaceuticals and as a reagent in organic chemistry.

What are the main uses of Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate (CAS: 78086-72-3)?

Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate (CAS: 78086-72-3) is primarily used in the pharmaceutical industry for the synthesis of drug intermediates. It is also employed as a reagent in organic chemistry for various transformations and as a solvent in some laboratory applications.

Is Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate (CAS: 78086-72-3) safe?

Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate (CAS: 78086-72-3) is considered safe when handled with proper precautions. It is important to work with this compound in a well-ventilated area and wear appropriate personal protective equipment, such as gloves and goggles. Avoid inhalation and contact with skin and eyes.

How should Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate (CAS: 78086-72-3) be stored?

Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate (CAS: 78086-72-3) should be stored at room temperature in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. Keep away from incompatible materials and ensure proper ventilation in the storage area.