CAS 58026-12-3

1,4-Dimethyl 2-formylbutanedioate

Description:

1,4-Dimethyl 2-formylbutanedioate, with the CAS number 58026-12-3, is an organic compound characterized by its structure, which includes two carboxylate groups and an aldehyde functional group. This compound is a derivative of butanedioic acid, featuring two methyl groups at the 1 and 4 positions and a formyl group at the 2 position. It typically appears as a colorless to pale yellow liquid or solid, depending on its purity and form. The presence of both the aldehyde and carboxylic acid functionalities suggests that it may participate in various chemical reactions, including condensation and esterification. Its reactivity can be influenced by the electron-donating effects of the methyl groups, which can stabilize certain intermediates during reactions. 1,4-Dimethyl 2-formylbutanedioate may find applications in organic synthesis, particularly in the preparation of more complex molecules or as an intermediate in the production of pharmaceuticals and agrochemicals. Safety data should be consulted for handling and storage, as with any chemical substance.

Formula: C₇H₁₀O₅

InChI: InChI=1S/C7H10O5/c1-11-6(9)3-5(4-8)7(10)12-2/h4-5H,3H2,1-2H3

InChI key: InChIKey=RYFFRHSMYJVFER-UHFFFAOYSA-N

SMILES: C(CC(OC)=O)(C(OC)=O)C=O

Synonyms:

• 1,4-Dimethyl 2-formylbutanedioate
• Butanedioic acid, 2-formyl-, 1,4-dimethyl ester
• Succinic acid, formyl-, dimethyl ester
• Dimethyl formylsuccinate
• Butanedioic acid, formyl-, dimethyl ester

1,4-Dimethyl 2-formylbutanedioate

CAS: 58026-12-3

1,4-Dimethyl 2-formylbutanedioate is a benzyl compound that has been shown to interact with the anion of alkali metal ions, such as sodium. It can also be prepared by the reaction of 1,4-dimethoxybenzene with formaldehyde and formic acid. The low frequency of this compound's interactions with other compounds has been shown analogously in the presence of antineoplastic agents. This compound has been used as a reagent in monitoring spectra due to its ability to form anions from alkali metal salts. 1,4-Dimethyl 2-formylbutanedioate is also known as sodium formaldehyde sulfoxylate and is used as an additive in detergents and water treatment chemicals including thiourea.

Formula: C₇H₁₀O₅

Purity: Min. 95%

Molecular weight: 174.15 g/mol

Ref: 3D-ICA02612