CAS 83-13-6

Diethyl phenylmalonate

Description:

Diethyl phenylmalonate, with the CAS number 83-13-6, is an organic compound characterized by its ester functional groups and a phenyl ring. It appears as a colorless to pale yellow liquid or solid, depending on the temperature and purity. This compound is known for its fruity odor and is soluble in organic solvents such as ethanol and ether, but has limited solubility in water. Diethyl phenylmalonate is primarily used in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals, due to its ability to undergo reactions such as esterification and condensation. It serves as a versatile building block in the synthesis of more complex molecules. Additionally, it exhibits moderate toxicity, necessitating careful handling and appropriate safety measures during use. Its chemical structure includes two ethyl groups and a phenyl group attached to a malonate backbone, which contributes to its reactivity and utility in synthetic chemistry.

Formula: C₁₃H₁₆O₄

InChI: InChI=1S/C13H16O4/c1-3-16-12(14)11(13(15)17-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3

InChI key: InChIKey=FGYDHYCFHBSNPE-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)(C(OCC)=O)C1=CC=CC=C1

Synonyms:

• (Phenyl)propanedioic acid diethyl ester
• 1,3-Diethyl 2-phenylpropanedioate
• Diethyl 2-phenylmalonate
• Diethyl Phenylpropanedioate
• Diethyl phenyl malonate
• Diethyl α-phenylmalonate
• Ethyl phenylmalonate
• Malonic acid, phenyl-, diethyl ester
• NSC 53560
• NSC 8126
• Phenyl Diethyl Malonate
• Phenylmalonic acid diethyl ester
• Phenylpropanedioic acid diethyl ester
• Propanedioic acid, 2-phenyl-, 1,3-diethyl ester
• Propanedioic acid, phenyl-, diethyl ester

Diethyl Phenylmalonate

CAS: 83-13-6

Formula: C₁₃H₁₆O₄

Purity: >97.0%(GC)

Color and Shape: Colorless to Light orange to Yellow clear liquid

Molecular weight: 236.27

Ref: 3B-P0311

Diethyl phenylmalonate, 98%

CAS: 83-13-6

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Formula: C₁₃H₁₆O₄

Purity: 98%

Color and Shape: Liquid, Clear colorless to yellow to orange

Molecular weight: 236.27

Ref: 02-B20234

Diethyl 2-phenylmalonate

CAS: 83-13-6

Formula: C₁₃H₁₆O₄

Purity: 98%

Color and Shape: Liquid

Molecular weight: 236.2637

Ref: IN-DA004W0D

Diethyl Phenylmalonate

CAS: 83-13-6

Diethyl Phenylmalonate

Purity: 98%

Molecular weight: 236.26g/mol

Ref: 54-OR1012874

Diethyl 2-phenylmalonate

CAS: 83-13-6

Formula: C₁₃H₁₆O₄

Purity: 98%

Color and Shape: Liquid

Molecular weight: 236.267

Ref: 10-F241073

Diethyl Phenylmalonate

Controlled Product

CAS: 83-13-6

Applications Diethyl Phenylmalonate is a reagent used in the synthesis of antituberculosis agents.
References Ng, P. S., et al.: J. Med. Chem., 106, 144-156 (2015)

Formula: C₁₃H₁₆O₄

Color and Shape: Neat

Molecular weight: 236.26

Ref: TR-D444823