| Identification | Back Directory | [Name]
3-ETHYNYLBENZALDEHYDE | [CAS]
77123-56-9 | [Synonyms]
3-ETHYNYLBENZALDEHYDE 3-Ethynylbenzaldehyde97% Benzaldehyde, 3-ethynyl- 3-Ethynylbenzaldehyde 97% (3-ForMylphenyl)acetylene Benzaldehyde, 3-ethynyl- (9CI) 3-ethynylbenzaldehyde(SALTDATA: FREE) | [Molecular Formula]
C9H6O | [MDL Number]
MFCD06245349 | [MOL File]
77123-56-9.mol | [Molecular Weight]
130.14 |
| Chemical Properties | Back Directory | [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 |
| Hazard Information | Back Directory | [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 |
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| Company Name: |
Energy Chemical
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| Tel: |
021-021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
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