Dimethyl isopropylmalonate

Basic Information

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CAS Number

2917-78-4

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

Refractive Index

1.4235

SMILES

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CCC(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

0.6046

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

170

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

AKOS016008895
AS-75488
A819797
ethyl-methyl-propanedioic acid dimethyl ester
Dimethyl 2-isopropylmalonate
2917-78-4
Dimethyl 2-ethyl-2-methylmalonate
Propanedioic acid, ethylmethyl-, dimethyl ester
E79181
dimethyl 2-ethyl-2-methylpropanedioate
dimethyl 2-ethyl-2-methyl-propanedioate
CS-0450555
2-ethyl-2-methylpropanedioic acid dimethyl ester
Propanedioic acid, 2-ethyl-2-methyl-, 1,3-dimethyl ester
SCHEMBL2327259
1,3-DIMETHYL 2-ETHYL-2-METHYLPROPANEDIOATE
Dimethyl Isopropylmalonate
Aethyl-methyl-malonsaeure-dimethylester
DiMethyl isopropylMa
DIMETHYL ISOPROPYLMALONATEDISCONTINUED
ethyl-methyl-malonic acid dimethyl ester
ethylmethylpropanedioic acid dimethyl ester
Malonicacid, ethylmethyl-, dimethyl ester (7CI,8CI)
Propanedioic acid, ethylmethyl-,dimethyl ester (9CI)
Dimethyl methylethylmalonate

MDL Number

MFCD00236605

Customs Code

2917190090

FAQ

What are the physical and chemical properties of Dimethyl isopropylmalonate (CAS: 2917-78-4)?

Dimethyl isopropylmalonate (CAS: 2917-78-4) is a colorless to slightly yellow liquid with a molecular weight of approximately 166.23 g/mol. It has a pKa of about 5.2, making it slightly acidic. The compound is soluble in ethanol, methanol, and acetone but is only slightly soluble in water. It is used as a precursor in organic synthesis due to its reactivity and stability in certain reactions.

How is Dimethyl isopropylmalonate (CAS: 2917-78-4) typically synthesized?

Dimethyl isopropylmalonate (CAS: 2917-78-4) can be synthesized via the esterification of isopropylmalonic acid with dimethyl alcohol. This reaction is typically catalyzed by a strong acid such as sulfuric acid. The yield is generally high, with selectivity towards the esterification product, and the reaction is conducted in a solvent like methanol or ethanol.

What industries use Dimethyl isopropylmalonate (CAS: 2917-78-4)?

Dimethyl isopropylmalonate (CAS: 2917-78-4) is primarily used in the pharmaceutical industry as a precursor for the synthesis of various bioactive compounds. It is also utilized in the polymer industry for the modification of polymers and in the semiconductor industry for the fabrication of semiconductors and sensors. Its versatility in organic synthesis makes it a valuable compound in diverse chemical applications.

What precautions should be taken when handling Dimethyl isopropylmalonate (CAS: 2917-78-4)?

When handling Dimethyl isopropylmalonate (CAS: 2917-78-4), it is important to use appropriate personal protective equipment (PPE) such as chemical-resistant gloves, safety goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and ignition sources. It should be handled in a fume hood to minimize inhalation risks. In case of a spill, the area should be ventilated, and the spill should be cleaned up using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.