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CAS RN: 55727-23-6 | Product Number: D4208
3-(1,3-Dithian-2-ylidene)-2,4-pentanedione
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Purity: >98.0%(GC)
Synonyms:
Product Documents:
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| 1G |
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| 5G |
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| Product Number | D4208 |
| Purity / Analysis Method | >98.0%(GC) |
| Molecular Formula / Molecular Weight | C__9H__1__2O__2S__2 = 216.31 |
| Physical State (20 deg.C) | Solid |
| Storage Temperature | Room Temperature (Recommended in a cool and dark place, <15°C) |
| CAS RN | 55727-23-6 |
| Reaxys Registry Number | 8052948 |
| PubChem Substance ID | 160871490 |
| MDL Number | MFCD01096981 |
Specifications
| Appearance | Light orange to Yellow to Green powder to crystal |
| Purity(GC) | min. 98.0 % |
| Purity(qNMR) | min. 98.0 % |
| Melting point | 101.0 to 105.0 °C |
| NMR | confirm to structure |
Properties (reference)
| Melting Point | 103 °C |
GHS
Related Laws:
Transport Information:
| H.S.code* | 2934.99-000 |
Application
An Odorless 1,3-Propanedithiol Equivalent
Typical procedure (Entry 1 : R1 = 4-MeO-Ph, R2 = H ) :
3-(1,3-Dithian-2-ylidene)-2,4-pentanedione 1 (10 mmol), 4-methoxybenzaldehyde (10 mmol), and concd aq HCl (10 mmol) are added to a flask in a water bath. The mixture is heated to 60 °C under stirring. After the reaction is completed, within 15 min as indicated by TLC, the reaction mixture is cooled down to r.t. and neutralized with 10% aq NaHCO3 (10 mL). The solid product is collected by filtration and washed with H2O (3 × 30 mL). Further purification is carried out by silicagel flash column chromatography (petroleum ether/ethyl acetate = 75/1) to give 2-(4-methoxyphenyl)-1,3-dithiane in 97% yield as a white solid.
3-(1,3-Dithian-2-ylidene)-2,4-pentanedione 1 (10 mmol), 4-methoxybenzaldehyde (10 mmol), and concd aq HCl (10 mmol) are added to a flask in a water bath. The mixture is heated to 60 °C under stirring. After the reaction is completed, within 15 min as indicated by TLC, the reaction mixture is cooled down to r.t. and neutralized with 10% aq NaHCO3 (10 mL). The solid product is collected by filtration and washed with H2O (3 × 30 mL). Further purification is carried out by silicagel flash column chromatography (petroleum ether/ethyl acetate = 75/1) to give 2-(4-methoxyphenyl)-1,3-dithiane in 97% yield as a white solid.
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