CAS 685-87-0

Diethyl bromomalonate

Description:

Diethyl bromomalonate is an organic compound characterized by its structure, which includes two ethyl ester groups and a bromine atom attached to a malonate backbone. It is typically a colorless to pale yellow liquid with a fruity odor. This compound is known for its reactivity, particularly in nucleophilic substitution reactions, due to the presence of the bromine atom, which can be replaced by various nucleophiles. Diethyl bromomalonate is commonly used as a reagent in organic synthesis, particularly in the malonic ester synthesis, where it serves as a key intermediate for the preparation of various carboxylic acids and other derivatives. It is also utilized in the synthesis of heterocyclic compounds and in the development of pharmaceuticals. As with many brominated compounds, it is important to handle diethyl bromomalonate with care due to potential toxicity and environmental concerns. Proper safety measures, including the use of personal protective equipment and working in a well-ventilated area, are recommended when working with this substance.

Formula: C₇H₁₁BrO₄

InChI: InChI=1S/C7H11BrO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3

InChI key: InChIKey=FNJVDWXUKLTFFL-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)(C(OCC)=O)Br

Synonyms:

• 1,3-Diethyl 2-bromopropanedioate
• 2-Bromomalonic acid diethyl ester
• 2-Diethyl bromomalonate
• Bromomalonic acid diethyl ester
• Diethyl 2-bromo-1,3-propanedioate
• Diethyl 2-bromomalonate
• Diethyl 2-bromopropanedioate
• Diethyl Bromopropanedioate
• Diethyl α-bromomalonate
• Ethyl bromomalonate
• Malonic acid, bromo-, diethyl ester
• NSC 1985
• Propanedioic acid, 2-bromo-, 1,3-diethyl ester
• Propanedioic acid, bromo-, diethyl ester
• α-Bromomalonic ester

Diethyl Bromomalonate

CAS: 685-87-0

Formula: C₇H₁₁BrO₄

Purity: >85.0%(GC)

Color and Shape: Colorless to Light yellow clear liquid

Molecular weight: 239.07

Ref: 3B-B1205

Diethyl 2-bromomalonate

CAS: 685-87-0

Diethyl 2-bromomalonate

Formula: C₇H₁₁BrO₄

Purity: 98%

Color and Shape: colourless to light yellow liquid

Molecular weight: 239.06384g/mol

Ref: 54-OR9987

Diethyl bromomalonate

CAS: 685-87-0

BR1275 - Diethyl bromomalonate

Formula: C₇H₁₁BrO₄

Purity: 95%

Color and Shape: Clear Liquid

Molecular weight: 239.065

Ref: 10-BR1275

Diethyl Bromomalonate

Controlled Product

CAS: 685-87-0

Applications Diethyl Bromomalonate is a chemical constituent of the asymmetric cyclopropanation of chalcones. Also used in the preparation of nanaplatforms for NIR imaging-guided photodynamic therapy of cancer cells.
References Herchl, R. et al.: Tetra. Lett., 54, 2472 (2013); Liu, X. et al.: Chem. Comm., 49, 3224 (2013);

Formula: C₇H₁₁BrO₄

Color and Shape: Neat

Molecular weight: 239.06

Ref: TR-D443840

Diethyl bromomalonate

CAS: 685-87-0

Diethyl bromomalonate is a chemical compound with the formula CHBrOOCCH=COOCH. It is a kinetic data that has been used as a preparative hplc. Coumarin derivatives have been synthesized by its use. This reaction is an example of nucleophilic substitution of diethyl bromomalonate with an alkyl halide and hydrochloric acid in methyl ketones, which are hepg2 cell substrates. The mechanism for this reaction involves formation of an enolate from the carboxylic acid moiety followed by attack of the nucleophile on the electrophilic bromine atom to form the substituted product.

Formula: C₇H₁₁BrO₄

Purity: Min. 95%

Color and Shape: Clear Liquid

Molecular weight: 239.06 g/mol

Ref: 3D-FD35050

Diethyl bromomalonate, 90+%

CAS: 685-87-0

Diethyl bromomalonate is used in perfumes. It is also used to synthesize other compounds such as barbiturates, artificial flavorings, vitamin B1, and vitamin B6. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label infor

Formula: C₇H₁₁BrO₄

Purity: 90+%

Molecular weight: 239.07

Ref: 02-A10965