210153

2,2,5-Trimethyl-1,3-dioxane-4,6-dione

97%

• Sinónimos: cycl-Isopropylidene methylmalonate, Methyl Meldrum’s acid, Methylmalonic acid cyclic isopropylidene ester
• Fórmula empírica (notación de Hill): C₇H₁₀O₄
• Número de CAS: 3709-18-0
• Peso molecular: 158.15
• Beilstein/REAXYS Number: 124044
• EC Number: 223-050-7
• MDL number: MFCD00006637
• UNSPSC Code: 12352100
• PubChem Substance ID: 24852619
• NACRES: NA.22

Propiedades

• assay: 97%
• form: solid
• mp: 111-114 °C (lit.)
• functional group: ester; ketal
• SMILES string: CC1C(=O)OC(C)(C)OC1=O
• InChI: 1S/C7H10O4/c1-4-5(8)10-7(2,3)11-6(4)9/h4H,1-3H3
• Inchi Key: KJMCAXYHYPDRAV-UHFFFAOYSA-N

Descripción

General description

X-ray irradiated single crystals of 2,2,5-trimethyl-1,3-dioxane-4,6-dione have been investigated by electron spin resonance (ESR), electron nuclear double resonance (ENDOR) and electron-electron double resonance (ELDOR) spectra.

Application

2,2,5-Trimethyl-1,3-dioxane-4,6-dione was used for trapping the adduct formed during the reaction between alkyl isocyanides and dialkyl acetylenedicarboxylates.

Información de seguridad

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)