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4-ethynylbezaldehyde

4-ethynylbenzaldehyde

CAS: 63697-96-1

Molecular Formula: C9H6O

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4-ethynylbezaldehyde - 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-ethynylbezaldehyde - Physico-chemical Properties

Molecular FormulaC9H6O
Molar Mass130.14
Density1.07±0.1 g/cm3(Predicted)
Melting Point89-93 °C (lit.)
Boling Point223.8±23.0 °C(Predicted)
Flash Point86.8°C
Vapor Presure0.0946mmHg at 25°C
AppearancePowder or Crystalline Powder
ColorWhite to orange to brown
Maximum wavelength(λmax)['297nm(CH3CN)(lit.)']
Storage ConditionInert atmosphere,Store in freezer, under -20°C
Refractive Index1.554

4-ethynylbezaldehyde - Risk and Safety

Hazard SymbolsXi - Irritant
Irritant
Risk Codes36/37/38 - Irritating to eyes, respiratory system and skin.
Safety DescriptionS22 - 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 Germany3
HS Code29122990

4-ethynylbezaldehyde - 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
4-ethynylbezaldehyde
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CAS: 63697-96-1
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View History
4-ethynylbezaldehyde
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Bensulfuron-methyl W.P.
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