CAS 832741-03-4

Methyl 3-(difluoromethoxy)-α,γ-dioxobenzenebutanoate

Description:

Methyl 3-(difluoromethoxy)-α,γ-dioxobenzenebutanoate, identified by its CAS number 832741-03-4, is a synthetic organic compound characterized by its complex molecular structure, which includes a dioxobenzene moiety and a difluoromethoxy group. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its potential reactivity and stability. The presence of the difluoromethoxy group suggests enhanced lipophilicity and may influence the compound's biological activity, making it of interest in medicinal chemistry. Additionally, the dioxobenzene structure can impart unique electronic properties, potentially affecting its interaction with biological targets. The ester functional group in the molecule indicates that it may undergo hydrolysis under certain conditions, leading to the release of the corresponding acid and alcohol. Overall, this compound's characteristics, including its molecular weight, solubility, and reactivity, make it a subject of interest for further research, particularly in the fields of pharmaceuticals and agrochemicals.

Formula: C₁₂H₁₀F₂O₅

InChI: InChI=1S/C12H10F2O5/c1-18-11(17)10(16)6-9(15)7-3-2-4-8(5-7)19-12(13)14/h2-5,12H,6H2,1H3

InChI key: InChIKey=PMKCCHJPKIEDSV-UHFFFAOYSA-N

SMILES: C(CC(C(OC)=O)=O)(=O)C1=CC(OC(F)F)=CC=C1

Synonyms:

• 4-(3-Difluoromethoxyphenyl)-2,4-dioxo-butyric acid methyl ester
• Methyl 3-(difluoromethoxy)-α,γ-dioxobenzenebutanoate
• Benzenebutanoic acid, 3-(difluoromethoxy)-α,γ-dioxo-, methyl ester

4-(3-Difluoromethoxy-phenyl)-2,4-dioxo-butyric acid methyl ester

CAS: 832741-03-4

Formula: C₁₂H₁₀F₂O₅

Purity: 97%

Color and Shape: Solid

Molecular weight: 272.204

Ref: 10-F027141

Methyl 4-(3-(difluoromethoxy)phenyl)-2,4-dioxobutanoate

CAS: 832741-03-4

Methyl 4-(3-(difluoromethoxy)phenyl)-2,4-dioxobutanoate (MDE) is a hydrogen-bonding acid methyl ester that can be synthesized from 3,4-dihydroxybenzaldehyde and 2,4-dimethoxyphenylacetic acid. MDE has significant cytotoxicity in cultured cells and causes death of neurons. It also has antiinflammatory activity and can be used as a therapeutic agent for bowel disease. MDE is a picolinic acid analog. Picolinic acid is an antagonist of the N-methyl d-aspartate receptor (NMDA), which may contribute to its neuroprotective effects. The analytical method for MDE was developed by Etoac Extract Company in Japan with the help of other companies like Tokyo Chemical Industry Company Ltd., Sumitomo Chemical Co., Ltd., and Showa Denko KK.

Formula: C₁₂H₁₀F₂O₅

Purity: Min. 95%

Molecular weight: 272.2 g/mol

Ref: 3D-HIB74103