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CAS RN: 854849-14-2 | Product Number: M3998
3-Methyl-1,4,2-dioxazol-5-one
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Purity: >98.0%(GC)
Synonyms:
- Methyl-1,4,2-dioxazol-5-one
Product Documents:
| Size | Unit Price | Belgium | Japan* | Quantity |
Shipping Information
|
|---|---|---|---|---|---|
| 1G |
€65.00
|
Contact Us | 13 |
|
|
| 5G |
€190.00
|
1 | 6 |
|
* Stock available in Belgium: Shipment on the same day
* Stock available in Japan: Please check the Shipping Simulation for estimated shipments. (excludes regulated items and dry ice shipments)
| Product Number | M3998 |
Purity / Analysis Method 
|
>98.0%(GC) |
| Molecular Formula / Molecular Weight | C__3H__3NO__3 = 101.06 |
| Physical State (20 deg.C) | Liquid |
| Storage Temperature
|
Refrigerated (0-10°C) |
| Store Under Inert Gas | Store under inert gas |
| Condition to Avoid | Air Sensitive,Heat Sensitive |
| CAS RN | 854849-14-2 |
| Reaxys Registry Number | 2813 |
| MDL Number | MFCD31923040 |
Specifications
| Appearance | Colorless to Light yellow clear liquid |
| Purity(GC) | min. 98.0 % |
| NMR | confirm to structure |
Properties (reference)
| Boiling Point | 130 °C/30 mmHg |
| Flash point | 3 °C |
| Specific Gravity (20/20) | 1.32 |
GHS
| Pictogram |
|
| Signal Word | Danger |
| Hazard Statements | H225 : Highly flammable liquid and vapour. |
| Precautionary Statements | P501 : Dispose of contents/ container to an approved waste disposal plant. P210 : Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P233 : Keep container tightly closed. P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish. P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water. P403 + P235 : Store in a well-ventilated place. Keep cool. |
Related Laws:
Transport Information:
| UN Number | UN1993 |
| Class | 3 |
| Packing Group | II |
| HS Number | 2934999090 |
Application
TCI Practical Example: Stereoretentive Decarboxylative Amidation Using the Dioxazolone Reagent
Used Chemicals
Procedure
3-Methyl-1,4,2-dioxazol-5-one (0.88 g, 8.7 mmol, 2.0 eq.) was added to a solution of (S)-(+)-2-(6-methoxy-2-naphthyl)propionic acid (1.0 g, 4.3 mmol, 1.0 eq) and DBU (0.99 g, 6.5 mmol, 1.5 eq.) in ethyl acetate (8.7 mL) at room temperature and the mixture was stirred at room temperature for 4 h. The reaction mixture was quenched with 2 mol/L HCl (4.3 mL) and the aqueous layer was extracted with Ethyl Acetate (8.7 mL x 3). The combined organic layer was washed with brine, dried over magnesium sulfate and filtered. The solvent was removed under reduced pressure, and the residue was washed with ethyl acetate to give (S)-N-[1-(6-methoxynapthalen-2-yl)ethyl]acetamide as a white solid (0.66 g, 62% yield, e.r. >99:1).
Experimenter’s Comments
- The reaction was operated under ambient atmosphere and monitored by GC.
- The bubbling of CO2, a byproduct of the reaction, was observed as it proceeded.
- The enantiomeric ratio was determined by LC.
Analytical Data
(S)-N-[1-(6-Methoxynapthalen-2-yl)ethyl]acetamide
1H NMR (400 MHz, CDCl3); δ 7.69 – 7.66 (m, 3H), 7.40 (d, 1H), 7.14 – 7.11 (m, 2H), 5.94 (brs, 1H), 5.25 (m, 1H), 3.90 (s, 3H), 1.98 (s, 3H), 1.55 (d, 3H).
13C NMR (400 MHz, CDCl3); δ 169.1, 157.6, 138.2, 133.8, 129.3, 128.7, 127.3, 125.3, 124.4, 119.0, 105.6, 55.2, 48.6, 23.4, 21.5.
Lead Reference
- Enhancing the Sustainability and Scalability of Transition-Metal-Free Stereoretentive Decarboxylative Amidation with Dioxazolones
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