Dimethyl isopropylmalonate

Basic Information

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CAS Number

51122-91-9

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 Physical Properties

Boiling Point

190.9 ℃ at 760 mmHg

SMILES

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

InChI

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

InChIKey

HVNFMZHHKRLLNH-UHFFFAOYSA-N

LogP

0.6045999999999998

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

158

Synonyms & References

English

AKOS006273649
DTXSID40342613
SY023596
DimethylIsopropylmalonate
InChI=1/C8H14O4/c1-5(2)6(7(9)11-3)8(10)12-4/h5-6H,1-4H
isopropyl-malonic acid dimethyl ester
Dimethyl .alpha.-isopropyl malonate
AS-17531
CS-0187376
MFCD00236605
SCHEMBL188811
FT-0655893
EN300-306784
Propanedioic acid, (1-methylethyl)-, dimethyl ester
HVNFMZHHKRLLNH-UHFFFAOYSA-N
AMY9411
A871369
2-Isopropylmalonic acid dimethyl ester
Dimethyl isopropylmalonate
1,3-dimethyl 2-(propan-2-yl)propanedioate
Dimethyl 2-isopropylmalonate #
Dimethyl 2-propan-2-ylpropanedioate
51122-91-9
Propanedioic acid, methylethyl- dimethyl ester
Dimethyl Isopropylmalonate
Dimethyl 2-isopropylmalonate
dimethyl 2-propan-2-ylpropanedioate
methyl 2-carbomethoxy-3-methylbutyrate
Isopropylmalonsaeure-dimethylester
KSC265I0T
Jsp005566

MDL Number

MFCD00236605

Customs Code

2917190090

FAQ

What are the physical and chemical properties of Dimethyl isopropylmalonate (CAS: 51122-91-9)?

Dimethyl isopropylmalonate is a colorless to light yellow liquid with a molecular weight of approximately 184.24 g/mol. It is slightly soluble in water but miscible with many organic solvents. Chemically, it is characterized by its reactivity towards nucleophiles and its ability to undergo esterification and amidation reactions. Its crystalline form is not common, but it can be obtained under specific conditions.

How is Dimethyl isopropylmalonate (CAS: 51122-91-9) typically synthesized?

Dimethyl isopropylmalonate can be synthesized through the reaction of isopropylmalononitrile with methyl iodide in the presence of a base like potassium carbonate. The method involves protecting the carboxylic acid group and then converting it to the corresponding ester. The reaction yields a high purity product with good selectivity and high yield.

What industries use Dimethyl isopropylmalonate (CAS: 51122-91-9)?

Dimethyl isopropylmalonate is widely used in the pharmaceutical industry for the synthesis of certain drugs and intermediates. It is also utilized in the polymer industry for the modification of polymers and in the semiconductor industry for photoresist applications. Additionally, it has applications in the production of sensors and as a reagent in analytical chemistry.

What precautions should be taken when handling Dimethyl isopropylmalonate (CAS: 51122-91-9)?

When handling Dimethyl isopropylmalonate, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Always work in a well-ventilated area or a fume hood to avoid inhalation. Store the compound at room temperature in a sealed, dry container to prevent degradation. In case of spills, contain them and dispose of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed emergency procedures and storage guidelines.