1198166-03-8|1-(5-Isopropoxypyridin-2-yl)ethanone| Ambeed

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Quality Control of [ 1198166-03-8 ] Purity: 95% SDS Specification

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Product Details of [ 1198166-03-8 ]

CAS No. :	1198166-03-8
Formula :	C₁₀H₁₃NO₂
M.W :	179.22
SMILES Code :	CC(C1=NC=C(OC(C)C)C=C1)=O
InChI Key :	OBBDMQLHKNVZOV-UHFFFAOYSA-N
Pubchem ID :	58126288

Safety of [ 1198166-03-8 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H312-H332
Precautionary Statements:	P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501

Application In Synthesis of [ 1198166-03-8 ]

* 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 [ 1198166-03-8 ]

[ 1198166-03-8 ] Synthesis Path-Downstream 1~26

1
[ 1198166-02-7 ]
[ 1198166-03-8 ]

Yield	Reaction Conditions	Operation in experiment
94%	With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; trichloroisocyanuric acid; In acetone; for 0.166667h;	116-a-7) Preparation of 1-[5-(1-methylethoxy)pyridin-2-yl]ethanone; 1-[5-(1-Methylethoxy)pyridin-2-yl]ethanol (22 mg, 0.119 mmol) was dissolved in acetone (1.2 mL). The resultant mixture was added with 2,2,6,6-tetramethylpiperidine 1-oxyl (2.0 mg, 0.012 mmol) and trichloroisocyanuric acid (30 mg, 0.131 mmol) under ice-cold conditions, and stirred at 0 C. for 10 minutes. The reaction solution was concentrated in vacuo, added with an aqueous solution of sodium hydrogen carbonate, and extracted with ethyl acetate. The organic layer was washed with brine, dried over sodium sulfate, and concentrated in vacuo. The obtained residue was purified using silica-gel column chromatography (hexane/ethyl acetate) and 1-[5-(1-methylethoxy)pyridin-2-yl]ethanone (20 mg, yield 94%) was obtained as a yellow oil.1H-NMR (CDCl3) δ: 1.40 (6H, d, J=6.2 Hz), 2.68 (3H, s), 4.68 (1H, sept, J=6.2 Hz), 7.22 (1H, dd, J=2.7, 8.6 Hz), 8.03 (1H, d, J=8.6 Hz), 8.28 (1H, d, J=2.7 Hz).

References: [1]Patent: US2010/48610,2010,A1 .Location in patent: Page/Page column 65-66.
[2]Patent: WO2022/87326,2022,A1 .Location in patent: Paragraph 0273.

2
[ 1198166-03-8 ]
[ 1198166-02-7 ]

Yield	Reaction Conditions	Operation in experiment
	With 2,2,6,6-tetramethyl-piperidine-N-oxyl; trichloroisocyanuric acid; In acetone; for 0.166667h;Cooling with ice;	1-[5-(1-Methylethoxy)pyridin-2-yl]ethanol (22 mg, 0.119 mmol) was dissolved in acetone (1.2 mL), added 2,2,6,6-tetramethylpiperidine 1-oxyl (2.0 mg, 0.012 mmol) and trichloroisocyanuric acid (30 mg, 0.131 mmol) under ice-cold conditions, and the mixture was stirred at 0 C. for 10 minutes. The reaction solution was concentrated in vacuo, added an aqueous solution of sodium hydrogen carbonate, and extracted with ethyl acetate. The organic layer was washed with brine, dried over sodium sulfate, and concentrated in vacuo. The obtained residue was purified by silica-gel column chromatography (hexane/ethyl acetate), and <strong>[1198166-03-8]1-[5-(1-methylethoxy)pyridin-2-yl]ethanone</strong> (20 mg (yield 94%)) was obtained as a yellow oil.1H-NMR (CDCl3) δ: 1.40 (6H, d, J=6.2 Hz), 2.68 (3H, s), 4.68 (1H, quint, J=6.2 Hz), 7.22 (1H, dd, J=2.7, 8.6 Hz), 8.03 (1H, d, J=8.6 Hz), 8.28 (1H, d, J=2.7 Hz).

References: [1]Patent: US2010/280013,2010,A1 .Location in patent: Page/Page column 21.

3
5-isopropoxypicolinonitrile [ No CAS ]
[ 75-16-1 ]
[ 1198166-03-8 ]

Yield	Reaction Conditions	Operation in experiment
77%		1-(5-(1-Methylethoxy)pyridin-2-yl)ethan-1-one (53) To a stirred solution of 52 (491 mg, 3.0 mmol) in THF (20 mL) was added methylmagnesium bromide (MeMgBr) (0.97 M in THF solution, 9.3 mL, 9.1 mmol) at 0 C under an argon atmosphere. The reaction mixture was stirred 0 C for 2 h. To the reaction mixture was added 1 N HCl (10 mL). Then, the reaction mixture was neutralized with saturated NaHCO3 aq at 0 C. The aqueous layer was extracted with EtOAc. The organic layer was washed with brine, dried over Na2SO4 and concentrated in vacuo. The residue was purified by silica gel column chromatography (n-hexane/EtOAc = 10:1) to give the title compound (418 mg, 77%) as a yellow oil; 1H NMR (400 MHz, CDCl3) δ 1.40 (6H, d, J = 5.9 Hz), 2.68 (3H, s), 4.68 (1H, sept, J = 5.9 Hz), 7.22 (1H, dd, J = 3.0, 8.6 Hz), 8.03 (1H, d, J = 8.6 Hz), 8.28 (1H, d, J = 3.0 Hz); MS (EI) m/z 179 [M]+.

References: [1]Bioorganic and Medicinal Chemistry,2016,vol. 24,p. 3436 - 3446.

4
5-hydroxypyridine-2-carbonitrile [ No CAS ]
[ 1198166-03-8 ]

References: [1]Bioorganic and Medicinal Chemistry,2016,vol. 24,p. 3436 - 3446.

5
[ 1198166-03-8 ]
3-(2-(2-(benzyloxy)-4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy)phenyl)-2-oxoethyl)-5-(5-(1-methylethoxy)pyridin-2-yl)-5-methylimidazolidine-2,4-dione [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry,2016,vol. 24,p. 3436 - 3446.

6
[ 1198166-03-8 ]
3-(2-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy)-2-hydroxyphenyl)-2-oxoethyl)-5-(5-(1-methylethoxy)pyridin-2-yl)-5-methylimidazolidine-2,4-dione [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry,2016,vol. 24,p. 3436 - 3446.

7
[ 1198166-03-8 ]
(-)-3-(2-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy)-2-hydroxyphenyl)-2-oxoethyl)-5-(5-(1-methylethoxy)pyridin-2-yl)-5-methylimidazolidine-2,4-dione [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry,2016,vol. 24,p. 3436 - 3446.

8
[ 1198166-03-8 ]
5-[5-(1-methylethoxy)pyridin-2-yl]-5-methylimidazolidine-2,4-dione hydrochloride [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry,2016,vol. 24,p. 3436 - 3446.

9
[ 1198166-03-8 ]
(+)-5-[5-(1-methylethoxy)pyridyl-2-yl]-5-methylimidazoline-2,4-dione [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry,2016,vol. 24,p. 3436 - 3446.

10
[ 1198166-03-8 ]
(+)-3-(2-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy)-2-hydroxyphenyl)-2-oxoethyl)-5-(5-(1-methylethoxy)pyridin-2-yl)-5-methylimidazolidine-2,4-dione [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry,2016,vol. 24,p. 3436 - 3446.

11
[ 1198166-03-8 ]
(-)-3-(2-(2-(benzyloxy)-4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy)phenyl)-2-oxoethyl)-5-(5-(1-methylethoxy)pyridin-2-yl)-5-methylimidazolidine-2,4-dione [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry,2016,vol. 24,p. 3436 - 3446.

12
[ 1198166-03-8 ]
(+)-3-(2-(2-(benzyloxy)-4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy)phenyl)-2-oxoethyl)-5-(5-(1-methylethoxy)pyridin-2-yl)-5-methylimidazolidine-2,4-dione [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry,2016,vol. 24,p. 3436 - 3446.

13
[ 1198166-03-8 ]
(-)-5-[5-(1-methylethoxy)pyridyl-2-yl]-5-methylimidazoline-2,4-dione [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry,2016,vol. 24,p. 3436 - 3446.

14
[ 1198166-03-8 ]
[ 506-87-6 ]
[ 1198165-96-6 ]

Yield	Reaction Conditions	Operation in experiment
87%	With sodium cyanide; In ethanol; water; at 100.0℃; for 1.0h;Microwave irradiation;	Racemic-5-[5-(1-methylethoxy)pyridin-2-yl]-5-methyl- imidazolidine-2,4-dione ((+-)-54) To a stirred solution of 53 (417 mg, 2.3 mmol) in EtOH (2.3 mL) was added NaCN (1.02 g, 20.9 mmol), (NH4)2CO3 (4.03 g, 41.9 mmol) and water (2.3 mL) at room temperature. The reaction mixture was irradiated using a microwave reactor (Biotage Initiator) at 100 C for 1 h. The reaction mixture was concentrated to remove EtOH. The resulting precipitate was filtered off and washed with water. The solid was recrystallized from a mixture solvent of CHCl3 and MeOH (20:1) to give the title compound (504 mg, 87%) as a brown amorphous; 1H NMR (400 MHz, CDCl3) δ 1.33 (6H, d, J = 6.2 Hz), 1.79 (3H, s), 4.67 (1H, sept, J = 6.2 Hz), 7.36 (1H, dd, J = 2.7, 8.9 Hz), 7.46 (1H, d, J = 8.9 Hz), 8.18 (1H, d, J = 2.7 Hz); MS (EI) m/z 249 [M]+.

References: [1]Bioorganic and Medicinal Chemistry,2016,vol. 24,p. 3436 - 3446.

15
[ 1198166-03-8 ]
(S)-3-(2-{4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-hydroxyphenyl}-2-oxoethyl)-5-[5-(1-methylethoxy)pyridin-2-yl]-5-methylimidazolidine-2,4-dione [ No CAS ]