| Identification | More | [Name]
2,2,5-Trimethyl-1,3-dioxane-4,6-dione | [CAS]
3709-18-0 | [Synonyms]
1,3-DIOXANE-4,6-DIONE, 2,2,5-TRIMETHYL
2,2,5-TRIMETHYL-1,3-DIOXANE-4,6-DIONE
CHEMPACIFIC 41980
CYCL-ISOPROPYLIDENE METHYLMALONATE
METHYLMALONIC ACID CYCLIC ISOPROPYLIDENE ESTER
METHYL MELDRUM'S ACID
2-METHYLCYCLOPROPANECARBOXYLIC ACID, 98% , MIXTURE OF CIS AND TRANS
2,2,5-Trimethyl-1,3-Dioxane-4,6-Dione 98%
2,2,5-TRIMETHYL-1,3-DIOXANE-4,6-DIONE(METHYL MELDRUM''S ACID)
Methyl Meldrums acid, Methylmalonic acid cyclic isopropylidene ester
cycl-Isopropylidene methylmalonate, Methyl Meldrums acid, Methylmalonic acid cyclic isopropylidene ester | [EINECS(EC#)]
223-050-7 | [Molecular Formula]
C7H10O4 | [MDL Number]
MFCD00006637 | [Molecular Weight]
158.15 | [MOL File]
3709-18-0.mol |
| Chemical Properties | Back Directory | [Appearance]
White to slightly pink crystalline powder | [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. ]
2-8°C
| [pka]
13.14±0.40(Predicted) | [BRN ]
124044 | [InChIKey]
KJMCAXYHYPDRAV-UHFFFAOYSA-N | [CAS DataBase Reference]
3709-18-0(CAS DataBase Reference) |
| Safety Data | Back Directory | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [F ]
10-21 | [HS Code ]
29171990 |
| Hazard Information | Back Directory | [Chemical Properties]
White to slightly pink crystalline powder | [Uses]
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. | [Uses]
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. | [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. |
| Spectrum Detail | Back Directory | [Spectrum Detail]
2,2,5-Trimethyl-1,3-dioxane-4,6-dione(3709-18-0)1HNMR
2,2,5-Trimethyl-1,3-dioxane-4,6-dione(3709-18-0)FT-IR
2,2,5-Trimethyl-1,3-dioxane-4,6-dione(3709-18-0)IR
2,2,5-Trimethyl-1,3-dioxane-4,6-dione(3709-18-0)Raman
|
|
|