Methyl 4,4-dimethoxy-3-oxobutanoate

Basic Information

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CAS Number

60705-25-1

Molecular Formula

C7H12O5

Molecular Weight

176.17 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

69-74°C / 1mm Hg

Density

1.116

Flash Point

106.9°C

Refractive Index

1.417

SMILES

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

InChI

InChI=1S/C7H12O5/c1-10-6(9)4-5(8)7(11-2)12-3/h7H,4H2,1-3H3

InChIKey

PJYQRBMGZRVNSQ-UHFFFAOYSA-N

LogP

-0.2625000000000002

Topological Polar Surface Area

61.830000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

161

Synonyms & References

English

Methyl 4 pound not4-dimethoxy-3-oxobutanoate
methyl 4, 4-dimethoxyacetoacetate
methyl 4,4-dimethoxyacetoacetate
SY101830
BB 0260056
PJYQRBMGZRVNSQ-UHFFFAOYSA-N
MFCD09840950
60705-25-1
A832847
Methyl-4,4-(dimethoxy)acetoacetate
SCHEMBL3297298
Methyl 4,4-dimethoxy-3-oxobutanoate
FT-0655543
Methyl 4,4-dimethoxy acetylacetate
CS-W005867
DTXSID20451651
AKOS006326879
C16066
Butanoic acid, 4,4-dimethoxy-3-oxo-, methyl ester
4,4-Dimethoxy-3-oxo-butyric acid methyl ester
DS-4324
Methyl 4,4-dimethoxyacetylacetate
methyl 4,4-dimethoxyactoacetate
methyl 4,4-dimethoxyacetyl acetate
4,4-Dimthoxy-acetoaceticAcidMethylEster,4,4-Dimethoxy-3-oxo-butyricAcidMethylEster
Methyl-4,4-(Dimethoxy)
Methy14,4-dimethoxy-3-oxobutanoate
Ethy14,4-diethoxy-3-oxobutanoate
methyl4,4dimethoxyacetylacetate
4,4DimthoxyacetoaceticAcidMethylEster,4,4Dimethoxy3oxobutyricAcidMethylEster
Methyl4,4(Dimethoxy)

MDL Number

MFCD09840950

Customs Code

2918990090

FAQ

What are the physical and chemical properties of Methyl 4,4-dimethoxy-3-oxobutanoate (CAS: 60705-25-1)?

Methyl 4,4-dimethoxy-3-oxobutanoate (CAS: 60705-25-1) has a crystalline form with a molecular weight of approximately 180.26 g/mol. It is slightly soluble in water but more soluble in organic solvents. This compound is reactive and can undergo esterification and reduction reactions under specific conditions. It has a pKa of around 5.6, indicating it can act as a weak acid.

How is Methyl 4,4-dimethoxy-3-oxobutanoate (CAS: 60705-25-1) typically synthesized?

Methyl 4,4-dimethoxy-3-oxobutanoate is typically synthesized via esterification of 4,4-dimethoxy-3-oxobutanoic acid with methanol in the presence of a strong acid catalyst such as sulfuric acid. The reaction is carried out under mild conditions to achieve a high yield and good selectivity. The process can be optimized for better efficiency and purity.

What industries use Methyl 4,4-dimethoxy-3-oxobutanoate (CAS: 60705-25-1)?

Methyl 4,4-dimethoxy-3-oxobutanoate (CAS: 60705-25-1) is used in the pharmaceutical industry for the synthesis of certain drugs, in polymer production to improve material properties, and in the manufacturing of sensors due to its distinctive chemical reactivity. It also finds application in the semiconductor industry as a precursor in the fabrication of electronic devices.

What precautions should be taken when handling Methyl 4,4-dimethoxy-3-oxobutanoate (CAS: 60705-25-1)?

Handling Methyl 4,4-dimethoxy-3-oxobutanoate (CAS: 60705-25-1) requires the use of appropriate personal protective equipment (PPE), including gloves and goggles. It should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of a spill, it should be cleaned up using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed information on handling and disposal.