ChemicalBook--->CAS DataBase List--->77123-56-9

77123-56-9

77123-56-9 Structure

77123-56-9 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H317-H319
[Precautionary statements ]

P280-P301+P312+P330-P302+P352-P305+P351+P338
[Hazard Codes ]

T,Xn
[Risk Statements ]

22-36-43
[Safety Statements ]

26-36/37
[WGK Germany ]

1
[HS Code ]

2912290090
Spectrum DetailBack Directory
[Spectrum Detail]

3-ETHYNYLBENZALDEHYDE(77123-56-9)1HNMR
3-ETHYNYLBENZALDEHYDE(77123-56-9)FT-IR
Hazard InformationBack Directory
[Synthesis]

3-(TRIMETHYLSILYL)ETHYNYLBENZALDEHYDE

77123-55-8

3-ETHYNYLBENZALDEHYDE

77123-56-9

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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