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Chemical Structure| 765-42-4 Chemical Structure| 765-42-4

Structure of 765-42-4

Chemical Structure| 765-42-4

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Product Details of [ 765-42-4 ]

CAS No. :765-42-4
Formula : C5H10O
M.W : 86.13
SMILES Code : CC(C1CC1)O
MDL No. :MFCD00001300
InChI Key :DKKVKJZXOBFLRY-UHFFFAOYSA-N
Pubchem ID :79104

Safety of [ 765-42-4 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H225
Precautionary Statements:P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Class:3
UN#:1987
Packing Group:

Application In Synthesis of [ 765-42-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 765-42-4 ]

[ 765-42-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 765-42-4 ]
  • [ 21642-98-8 ]
  • 1-(1-cyclopropylethyl)-4-methoxy-2-oxo-1,2-dihydropyridine-3-carbonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
2.45 g With azodicarboxylic acid bis(2-methoxyethyl) ester; triphenylphosphine; In tetrahydrofuran; at 0 - 35℃; for 15.0h; To a mixture of <strong>[21642-98-8]4-methoxy-2-oxo-1,2-dihydropyridine-3-carbonitrile</strong> (20.0 g), triphenylphosphine (52.4 g), 1-cyclopropylethanol (19.34 mL) and tetrahydrofuran (500 mL) was added bis(2-methoxyethyl) azodicarboxylate (46.8 g) at 0°C. The reaction mixture was stirred at room temperature for 15 hr. The reaction mixture was poured into water, and the mixture was extracted with ethyl acetate. The obtained organic layer was washed with water and saturated brine, and dried over anhydrous magnesium sulfate, and the solvent was evaporated under reduced pressure. The residue was dissolved in diethyl ether, and triphenylphosphine oxide (5 mg) was added thereto. The insoluble substance was removed by filtration. The filtrate was washed with water, and dried over anhydrous magnesium sulfate, and the solvent was evaporated under reduced pressure. The residue was purified by silica gel column chromatography (basic silica gel, hexane/ethyl acetate) to give a crude product. The crude product was purified by silica gel column chromatography (hexane/ethyl acetate) to give the title compound (2.45 g). MS (ESI+) : [M+H]+ 218.9
2.45 g With bis(2-methoxyethyl) azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 - 35℃; for 15.0h; A) 1-(1-cyclopropylethyl)-<strong>[21642-98-8]4-methoxy-2-oxo-1,2-dihydropyridine-3-carbonitrile</strong> (0606) To a mixture of <strong>[21642-98-8]4-methoxy-2-oxo-1,2-dihydropyridine-3-carbonitrile</strong> (20.0 g), triphenylphosphine (52.4 g), 1-cyclopropylethanol (19.34 mL) and tetrahydrofuran (500 mL) was added bis(2-methoxyethyl) azodicarboxylate (46.8 g) at 0°C. The reaction mixture was stirred at room temperature for 15 hr. The reaction mixture was added to water, and the mixture was extracted with ethyl acetate. The obtained organic layer was washed with water and saturated brine, and dried over anhydrous magnesium sulfate. The solvent was evaporated under reduced pressure and the residue was dissolved in diethyl ether (300 mL), and triphenylphosphine oxide (5 mg) was added. Insoluble materials were collected by filtration. The filtrate was washed with water, and dried over anhydrous magnesium sulfate. The solvent was evaporated under reduced pressure and the residue was purified by silica gel column chromatography (basic silica gel, hexane/ethyl acetate) to give a crude purification product. The crude purification product was purified by silica gel column chromatography (hexane/ethyl acetate) to give the title compound (2.45 g). MS(ESI+): [M+H]+218.9.
2.45g With azodicarboxylic acid bis(2-methoxyethyl) ester; triphenylphosphine; In tetrahydrofuran; at 0 - 20℃; for 15.0h; <strong>[21642-98-8]4-methoxy-2-oxo-1,2-dihydropyridine-3-carbonitrile</strong> (20.0 g), triphenylphosphine (52.4 g), a mixture of 1-cyclopropyl-ethanol (19.34 mL) and tetrahydrofuran (500 mL), azodicarboxylic acid bis (2-methoxyethyl) a (46.8 g) was added at 0 .The reaction mixture was stirred for 15 hours at room temperature.The reaction mixture was added to water and extracted with ethyl acetate.The resulting organic layer was washed with water then with saturated brine, dried over anhydrous magnesium sulfate, and the solvent was evaporated under reduced pressure.The residue was dissolved in diethyl ether (300 mL), was added triphenyl phosphine oxide (5 mg).The insoluble material was collected by filtration.The filtrate was washed with water, dried over anhydrous magnesium sulfate, and the solvent was evaporated under reduced pressure.The residue was purified by silica gel column chromatography (NH, hexane / ethyl acetate) to give the crude product.The crude product was purified by silica gel column chromatography (hexane / ethyl acetate), to give the title compound (2.45 g).
 

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