(Diethylamino)sulfur trifluoride
Diethylaminosulfur trifluoride
CAS: 38078-09-0
Molecular Formula: C4H10F3NS
(Diethylamino)sulfur trifluoride - Names and Identifiers
| Name | Diethylaminosulfur trifluoride |
| Synonyms | DAST (beta-4)-sulfu Diethylaminotrifluorosulfur (diethylamino)trifluorosulfur Diethylaminosulfur trifluoride Diethylaminosulphur Trifluoride Diethylamino-schwefeltrifluorid (Diethylamino)sulfur trifluoride ethanamine,N-ethyl-,sulfurcomplex (N,N-diethylamino)sulfurtrifluoride (Diethylethan-aminato)trifluorosulfur (N-ethylethanaminato)-trifluorosulfur 2-bromo-1,1,2-trifluoroethyl ethyl ether N-ethyl-N-(trifluoro-lambda~4~-sulfanyl)ethanamine |
| CAS | 38078-09-0 |
| EINECS | 253-771-2 |
| InChI | InChI=1/C4H6BrF3O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3 |
| InChIKey | CSJLBAMHHLJAAS-UHFFFAOYSA-N |
(Diethylamino)sulfur trifluoride - Physico-chemical Properties
| Molecular Formula | C4H10F3NS |
| Molar Mass | 161.19 |
| Density | 1.22g/mLat 25°C(lit.) |
| Boling Point | 30-32°C3mm Hg(lit.) |
| Flash Point | 75°F |
| Water Solubility | decomposes |
| Vapor Presure | 23.6mmHg at 25°C |
| Appearance | liquid |
| Specific Gravity | 1.220 |
| Color | Colorless to Yellow to Orange |
| Exposure Limit | ACGIH: TWA 2.5 mg/m3NIOSH: IDLH 250 mg/m3 |
| Merck | 14,3113 |
| BRN | 1849066 |
| pKa | -4.87±0.70(Predicted) |
| Storage Condition | 2-8°C |
| Sensitive | Moisture Sensitive |
| Refractive Index | 1.41-1.416 |
| Physical and Chemical Properties | Boiling Point: 30 - 32 at 3mm Hg flash point: 23 ℃ density: 1.213 |
(Diethylamino)sulfur trifluoride - Risk and Safety
| Risk Codes | R10 - Flammable R14 - Reacts violently with water R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R34 - Causes burns R5 - Heating may cause an explosion R35 - Causes severe burns R40 - Limited evidence of a carcinogenic effect |
| Safety Description | S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN 2920 8/PG 1 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 3-10-21 |
| HS Code | 29309070 |
| Hazard Note | Corrosive/Keep Cold |
| Hazard Class | 8 |
| Packing Group | I |
(Diethylamino)sulfur trifluoride - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| DAST | Diethylamino sulfur trifluoride, commonly used abbreviation DAST, is a fluorination reagent widely used in organic synthesis. It is (dihydrocarbyl amino) A member of the sulfur trifluoride family. DAST is a nucleophilic fluorination reagent, which can convert hydroxyl compounds into monofluorinated compounds, aldehydes and ketones into difluorinated compounds, but has no effect on the carbonyl groups of carboxylic acids and their derivatives. DAST is a liquid. It can be stored for a long time at room temperature or in a refrigerator under dry conditions. DAST will decompose at 90°C, and improper handling will cause the risk of explosion. However, due to its simple operation and strong versatility, DAST is one of the most widely used fluorinated reagents. |
| physical properties | the commodity is a brown-yellow liquid with a boiling point of 30~32 ℃/3.0 mmHg and a density of 1.220g/cm3. Soluble in most non-polar organic solvents, usually used in CH2Cl2, CHCl3 and CCl4. |
| Fluorination reaction | The reaction of DAST to convert primary alcohols into corresponding fluorides can be carried out under very mild conditions. Usually, the material is added at-78oC to inhibit the initial exothermic process, and then the reaction is automatically raised to room temperature for a moment (Formula 1). Although the reaction of secondary alcohol is also fed at -78 oC, in order to promote the reaction, it is generally necessary to raise the temperature or reflux in CH2Cl2 for a long time (formula 2, formula 3). In most cases, the yield of fluorinated products is moderate, but the reaction has a high chemical selectivity and is suitable for selective fluorination of polyfunctional molecules. Under almost the same conditions as the fluorination of alcohol, DAST can convert aldehydes and ketones into corresponding difluorides. In contrast, their reaction temperature is higher than that of alcohol; the reaction conditions of aldehydes are milder than ketones. For example, after the aldehyde is treated with DAST at low temperature or room temperature, the corresponding difluoride (formula 4, formula 5) can be obtained. However, the ketone needs to be co-heated with DAST for a long time to generate the corresponding difluoride (formula 6). |
| precautions | DAST[(CH3CH2)2 NSF3] and BAST[(CH3OCH2CH2)2 NSF3; The trade name is Deoxofluor], which is easy to hydrolyze to generate HF, so special attention should be paid when using hydrofluoric acid and its ammonium salt. When the pure DAST heating exceeds 40~50 ℃, it will explode, so it is recommended to use a protective plate when it is heated. When a higher temperature is required due to the reactivity of the substrate, a safer BAST(Deoxofluor) can be selected. It will only decompose slowly without explosion during heating. The reagent is relatively stable at room temperature and pressure. It is recommended to store under low temperature and nitrogen protection, and the reaction is carried out in a fume hood. The reagent is relatively stable to air and moisture. |
| Use | Diethylamino sulfur trifluoride (DAST) is used as a fluorinating reagent and anti-cancer drug fluorinating agent. For example, it reacts with alcohol to obtain the corresponding fluoroalkane; it reacts with acid chloride to obtain the corresponding acyl fluoride; it reacts with aldehydes or ketones to obtain twin difluoride; it reacts with sulfoxide to obtain α-fluorosulfide, and then perchlorobenzoic acid Oxidation to obtain α-fluorosulfoxide. |
Last Update：2024-04-09 19:05:12
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