Methyl 4,4-dimethoxy-3-oxopentanoate

Basic Information

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CAS Number

62759-83-5

Molecular Formula

C8H14O5

Molecular Weight

190.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

69-73 °C/0.35 mmHg

Density

1.111 g/mL at 25 °C

Refractive Index

n20/D 1.435(lit.)

SMILES

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CC(C(=O)CC(=O)OC)(OC)OC

InChI

InChI=1S/C8H14O5/c1-8(12-3,13-4)6(9)5-7(10)11-2/h5H2,1-4H3

InChIKey

ZQFJOBUKEHFXKY-UHFFFAOYSA-N

LogP

0.12759999999999994

Topological Polar Surface Area

61.83000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

195

Synonyms & References

English

Methyl 4,4-dimethoxy-3-oxopentanoate
EN300-187941
Methyl4,4-dimethoxy-3-oxopentanoate
Methyl 4,4-dimethoxy-3-oxovalerate
ZQFJOBUKEHFXKY-UHFFFAOYSA-N
SCHEMBL1552599
Z1255427416
Methy l4,4-dimethoxy-3-oxopentanoate
MFCD00075269
CS-0237898
Methy 4,4-dimethoxy-3-oxopentanoate
Pentanoic acid, 4,4-dimethoxy-3-oxo-, methyl ester
BS-42431
A23160
Methyl 4,4-dimethoxy-3-oxovalerate,97%
Methyl 4,4-dimethoxy-3-oxovalerate, 97%
FT-0660495
DTXSID70408094
62759-83-5
AKOS015919513

MDL Number

MFCD00075269

Customs Code

2918990090

FAQ

What are the physical and chemical properties of Methyl 4,4-dimethoxy-3-oxopentanoate (CAS: 62759-83-5)?

Methyl 4,4-dimethoxy-3-oxopentanoate is a colorless to light yellow liquid with a molecular weight of approximately 186.24 g/mol. It has a low melting point and is moderately soluble in water but readily soluble in organic solvents like ethanol and acetone. Chemically, it is stable under normal conditions but can react with strong bases to form methanol and 4,4-dimethoxy-3-hydroxy-pentanoic acid. Its reactivity depends on the presence of the methoxy groups, which can participate in various organic reactions.

How is Methyl 4,4-dimethoxy-3-oxopentanoate (CAS: 62759-83-5) typically synthesized?

Methyl 4,4-dimethoxy-3-oxopentanoate can be synthesized by the esterification of 4,4-dimethoxy-3-hydroxy-pentanoic acid with methanol in the presence of a strong acid catalyst such as sulfuric acid. The reaction is typically carried out in a solvent like acetic acid. The yield of the product can be improved by controlling the reaction temperature and time. Additionally, the use of a phase-transfer catalyst can enhance the reaction selectivity and yield.

What industries use Methyl 4,4-dimethoxy-3-oxopentanoate (CAS: 62759-83-5)?

Methyl 4,4-dimethoxy-3-oxopentanoate is primarily used in the pharmaceutical industry for the synthesis of various drug intermediates. It also finds applications in the polymer industry as a monomer and in the sensor industry as a component in chemical sensors. Its usage in semiconductors is limited but it can be used in the preparation of certain materials for electronic applications.

What precautions should be taken when handling Methyl 4,4-dimethoxy-3-oxopentanoate (CAS: 62759-83-5)?

When handling Methyl 4,4-dimethoxy-3-oxopentanoate, it is important to wear appropriate personal protective equipment (PPE) such as safety goggles, gloves, and laboratory clothing. The compound should be stored in a fume hood to minimize exposure to air and to prevent the formation of methanol and 4,4-dimethoxy-3-hydroxy-pentanoic acid. In case of a spill, neutralize the spill with an appropriate base and then clean up using absorbent materials. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.