3-ETHYNYLBENZALDEHYDE manufacturers
- 3-ETHYNYLBENZALDEHYDE
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- $5.00 / 1KG
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2020-01-13
- CAS:77123-56-9
- Min. Order: 1KG
- Purity: 98%
- Supply Ability: 100KG
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| | 3-ETHYNYLBENZALDEHYDE Basic information |
| Product Name: | 3-ETHYNYLBENZALDEHYDE | | Synonyms: | 3-ETHYNYLBENZALDEHYDE;Benzaldehyde, 3-ethynyl- (9CI);3-Ethynylbenzaldehyde 97%;3-Ethynylbenzaldehyde97%;3-ethynylbenzaldehyde(SALTDATA: FREE);(3-ForMylphenyl)acetylene;Benzaldehyde, 3-ethynyl-;3-Ethynylbenzaldehyde - [E50961] | | CAS: | 77123-56-9 | | MF: | C9H6O | | MW: | 130.14 | | EINECS: | | | Product Categories: | ALDEHYDE | | Mol File: | 77123-56-9.mol |  |
| | 3-ETHYNYLBENZALDEHYDE Chemical Properties |
| Melting point | 75-80°C | | Boiling point | 229.2±23.0 °C(Predicted) | | density | 1.07±0.1 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | form | crystalline solid | | color | Gold/light tan | | InChI | 1S/C9H6O/c1-2-8-4-3-5-9(6-8)7-10/h1,3-7H | | InChIKey | IGIUWNVGCVCNPV-UHFFFAOYSA-N | | SMILES | O=Cc1cccc(c1)C#C |
| Hazard Codes | T,Xn | | Risk Statements | 22-36-43 | | Safety Statements | 26-36/37 | | WGK Germany | 1 | | HS Code | 2912290090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Irrit. 2
Skin Sens. 1 |
| | 3-ETHYNYLBENZALDEHYDE Usage And Synthesis |
| Synthesis | General procedure for the synthesis of the compound (CAS:77123-56-9) from 3-(trimethylsilyl)ethynylbenzaldehyde: Tetrabutylammonium fluoride (0.78 g, 3.0 mmol) was added batchwise to a solution of tetrahydrofuran (THF, 20 mL) containing 3-(trimethylsilyl)ethynylbenzaldehyde (0.30 g, 1.5 mmol) at room temperature. The reaction mixture was stirred continuously for 3 h at room temperature and then concentrated under vacuum. The residue was purified by column chromatography (eluent: ethyl acetate/petroleum ether, ratio tapered from 1/20 to 1/10) to afford the target compound (0.17 g, 88% yield) as a white solid.1H NMR (300 MHz, DMSO-d6) δ: 10.01 (s, 1H), 8.00 (s, 1H), 7.93 (d, J=7.7 Hz, 1H), 7.81 (d, J=7.8 Hz, 1H), 7.63 (t, J=7.7 Hz, 1H), 4.38 (s, 1H). | | References | [1] Journal of the American Chemical Society, 2009, vol. 131, # 34, p. 12218 - 12229
[2] Macromolecules, 2003, vol. 36, # 11, p. 3848 - 3853
[3] European Journal of Medicinal Chemistry, 2016, vol. 116, p. 46 - 58
[4] Patent: US2004/106592, 2004, A1
[5] Patent: US2004/116385, 2004, A1 |
| | 3-ETHYNYLBENZALDEHYDE Preparation Products And Raw materials |
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