4-Ethinylbenzaldehyd
4-ethynylbenzaldehyde
CAS: 63697-96-1
Molecular Formula: C9H6O
4-Ethinylbenzaldehyd - Names and Identifiers
| Name | 4-ethynylbenzaldehyde |
| Synonyms | Zinc02548316 CHEMBRDG-BB 4003406 4-Ethinylbenzaldehyd 4-ethynylbezaldehyde 4-ethynylbenzaldehyde 4-ETHYNYLBENZALDEHYDE Benzaldehyde,4-ethynyl- benzaldehyde, 4-ethynyl- Benzaldehyde, 4-ethynyl- (9CI) |
| CAS | 63697-96-1 |
| InChI | InChI=1/C9H6O/c1-2-8-3-5-9(7-10)6-4-8/h1,3-7H |
| InChIKey | BGMHQBQFJYJLBP-UHFFFAOYSA-N |
4-Ethinylbenzaldehyd - Physico-chemical Properties
| Molecular Formula | C9H6O |
| Molar Mass | 130.14 |
| Density | 1.07±0.1 g/cm3(Predicted) |
| Melting Point | 89-93 °C (lit.) |
| Boling Point | 223.8±23.0 °C(Predicted) |
| Flash Point | 86.8°C |
| Vapor Presure | 0.0946mmHg at 25°C |
| Appearance | Powder or Crystalline Powder |
| Color | White to orange to brown |
| Maximum wavelength(λmax) | ['297nm(CH3CN)(lit.)'] |
| Storage Condition | Inert atmosphere,Store in freezer, under -20°C |
| Refractive Index | 1.554 |
4-Ethinylbenzaldehyd - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S22 - Do not breathe dust. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| HS Code | 29122990 |
4-Ethinylbenzaldehyd - Reference Information
| Application | 4-ethynylbenzaldehyde is an organic synthesis intermediate and pharmaceutical intermediate, can be used in laboratory research and development of organic synthesis reaction and pharmaceutical research and development process. |
| preparation | (1) synthesis of compound 4 p-bromobenzaldehyde (1.85g,10mmol) dissolve in 15ml of anhydrous THF, add trimethylsilylacetylene (1.47g,15mmol), BIS-triphenylphosphorus Palladium dichloride (70mg,0.1mmol), cuprous iodide (38mg,0.2mmol), and 5ml of triethylamine. The reaction was carried out at 40 °c for 2H. THF was spin-dried and purified by column using PE and DCM (2:1 by volume) as eluent to give 2.0g of compound 4 as a white solid. The yield was 99%. (2) synthesis of compound 5 compound 4(727mg,3.6mmol) was dissolved in 15ml of anhydrous THF, and 2ml of an aqueous solution of Koh (298mg,4mmol) was added thereto, followed by reaction at room temperature for 2 hours. THF was spin-dried, and the reaction solution was extracted with EA and washed three times with saturated NaCl solution. The organic phase was dried over anhydrous Na2SO4, filtered, concentrated and purified by column using PE and DCM as eluents (1:1 by volume) to give 450mg of compound 5 as a pale yellow solid. The yield was 97%. |
Last Update：2024-04-10 22:29:15
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