2,2,5-Trimethyl-1,3-dioxane-4,6-dione
Synonym(s):cycl-Isopropylidene methylmalonate;Methyl Meldrum’s acid;Methylmalonic acid cyclic isopropylidene ester
- CAS NO.：3709-18-0
- Empirical Formula: C7H10O4
- Molecular Weight: 158.15
- MDL number: MFCD00006637
- EINECS: 223-050-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-19 19:28:24
What is 2,2,5-Trimethyl-1,3-dioxane-4,6-dione?
Chemical properties
White to slightly pink crystalline powder
The Uses of 2,2,5-Trimethyl-1,3-dioxane-4,6-dione
2,2,5-Trimethyl-1,3-dioxane-4,6-dione is used as a reagent in the synthesis of 3'',4''-bis-difluoromethoxycinnamoylanthranilate (FT061) which is an orally-active antifibrotic agent that reduces albuminuria in rat models of progressive diabetic nephropathy.
The Uses of 2,2,5-Trimethyl-1,3-dioxane-4,6-dione
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.
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.
Properties of 2,2,5-Trimethyl-1,3-dioxane-4,6-dione
| Melting point: | 111-114 °C(lit.) |
| Boiling point: | 203.22°C (rough estimate) |
| Density | 1.1229 (rough estimate) |
| refractive index | 1.4610 (estimate) |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | Chloroform, Methanol |
| form | Solid |
| pka | 13.14±0.40(Predicted) |
| color | White to Off-White |
| BRN | 124044 |
| CAS DataBase Reference | 3709-18-0(CAS DataBase Reference) |
Safety information for 2,2,5-Trimethyl-1,3-dioxane-4,6-dione
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 2,2,5-Trimethyl-1,3-dioxane-4,6-dione
| InChIKey | KJMCAXYHYPDRAV-UHFFFAOYSA-N |
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