2,2,6-Trimethyl-4H-1,3-dioxin-4-one
Synonym(s):Diketene acetone adduct;TMD
- CAS NO.:5394-63-8
- Empirical Formula: C7H10O3
- Molecular Weight: 142.15
- MDL number: MFCD00040468
- EINECS: 226-403-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-21 22:41:43
What is 2,2,6-Trimethyl-4H-1,3-dioxin-4-one?
Chemical properties
Dark brown liquid
The Uses of 2,2,6-Trimethyl-4H-1,3-dioxin-4-one
Diketene-Acetone Adduct can be used in place of diketene in many reactions. As a transportable form of diketene, it is especially important in those countries, where the transportation of diketene is not allowed or at least not desired.
The Uses of 2,2,6-Trimethyl-4H-1,3-dioxin-4-one
2,2,6-Trimethyl-1,3-dioxin-4-one is used in the synthesis of dihydropyrimininones as picomolar sodium iodide symporter inhibitors. It is also used in the synthesis of resorcinol amide Hsp90 Inhibitor AT13387. It is used in the synthesis of acetylketene by flash pyrolysis.
What are the applications of Application
2,2,6-Trimethyl-4H-1,3-dioxin-4-one generates unstable acetylketene together with acetone when heated above 120 ℃. Subsequent condensation with isocyanates, arylcyanates, or substituted cyanamides gives access to a wide range of 1,3-oxazine derivatives. Furthermore, diketene – acetone adduct can also be used for the preparation of a variety of compounds that are not accessible from diketene.
Chemical Reactivity
Diketene – acetone adduct (2,2,6-Trimethyl-4H-1,3-dioxin-4-one) can be regarded as a stabilized form of diketene. It can be safely transported and may conveniently be used instead of diketene in many reactions. For example, it reacts with alcohols and amines to yield acetoacetates and acetoacetamides, respectively. Diketene – acetone adduct generates unstable acetylketene together with acetone when heated above 120 ?C. Subsequent condensation with isocyanates, arylcyanates, or substituted cyanamides gives access to a wide range of 1,3-oxazine derivatives. Furthermore, diketene – acetone adduct can also be used for the preparation of a variety of compounds that are not accessible from diketene.
Properties of 2,2,6-Trimethyl-4H-1,3-dioxin-4-one
Melting point: | 12-13 °C(lit.) |
Boiling point: | ~275 °C(lit.) |
Density | 1.07 g/mL at 25 °C(lit.) |
refractive index | n |
Flash point: | 67 °F |
storage temp. | 2-8°C |
solubility | water: insoluble |
form | Liquid |
color | Dark brown |
Water Solubility | practically insoluble |
BRN | 2408 |
Exposure limits | ACGIH: TWA 250 ppm; STEL 500 ppm OSHA: TWA 1000 ppm(2400 mg/m3) NIOSH: IDLH 2500 ppm; TWA 250 ppm(590 mg/m3) |
CAS DataBase Reference | 5394-63-8(CAS DataBase Reference) |
Safety information for 2,2,6-Trimethyl-4H-1,3-dioxin-4-one
Signal word | Danger |
Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H225:Flammable liquids H319:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 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 2,2,6-Trimethyl-4H-1,3-dioxin-4-one
InChIKey | XFRBXZCBOYNMJP-UHFFFAOYSA-N |
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