1,1-dimethylethyl 2-[5-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydro-1-isoquinolinyl]acetate

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Chemical Name:1,1-dimethylethyl 2-[5-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydro-1-isoquinolinyl]acetate
CAS No.:1165938-46-4
Molecular Formula:C₂₆H₃₀ClN₃O₄
Molecular Weight:483.995
Hs Code.:

Synonyms:1,1-dimethylethyl 2-[5-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydro-1-isoquinolinyl]acetate

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Chemical Property of 1,1-dimethylethyl 2-[5-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydro-1-isoquinolinyl]acetate

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Technology Process of 1,1-dimethylethyl 2-[5-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydro-1-isoquinolinyl]acetate

There total 7 articles about 1,1-dimethylethyl 2-[5-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydro-1-isoquinolinyl]acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 51.0%

: 40052-13-9
mono-tert-butyl malonate

: 1165923-25-0
5-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline hydrochloride

: 1165938-46-4
1,1-dimethylethyl 2-[5-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydro-1-isoquinolinyl]acetate

Guidance literature:: 5-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline hydrochloride; With N-Bromosuccinimide; In dichloromethane; at 100 ℃; for 0.0833333h; Microwave irradiation;

mono-tert-butyl malonate; With potassium carbonate; In acetonitrile; at 100 ℃; for 0.166667h; Microwave irradiation;
DOI:10.1021/jm5010336

Reference yield:

: 3964-57-6
methyl 4-hydroxy-3-chlorobenzoate

: 1165938-46-4
1,1-dimethylethyl 2-[5-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydro-1-isoquinolinyl]acetate

Guidance literature:: Multi-step reaction with 4 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 18 h / 20 °C

2.1: sodium hydride / tetrahydrofuran; mineral oil / 0.5 h / 20 °C / Inert atmosphere

2.2: 1.5 h / 20 °C / Inert atmosphere

3.1: hydrogenchloride / 1,4-dioxane / 16 h / 20 °C

4.1: N-Bromosuccinimide / dichloromethane / 0.08 h / 100 °C / Microwave irradiation

4.2: 0.17 h / 100 °C / Microwave irradiation

With hydrogenchloride; N-Bromosuccinimide; sodium hydride; potassium carbonate; In tetrahydrofuran; 1,4-dioxane; dichloromethane; N,N-dimethyl-formamide; mineral oil;
DOI:10.1021/jm5010336

Reference yield:

: 213598-06-2
methyl 3-chloro-4-isopropoxybenzoate

: 1165938-46-4
1,1-dimethylethyl 2-[5-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydro-1-isoquinolinyl]acetate

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium hydride / tetrahydrofuran; mineral oil / 0.5 h / 20 °C / Inert atmosphere

1.2: 1.5 h / 20 °C / Inert atmosphere

2.1: hydrogenchloride / 1,4-dioxane / 16 h / 20 °C

3.1: N-Bromosuccinimide / dichloromethane / 0.08 h / 100 °C / Microwave irradiation

3.2: 0.17 h / 100 °C / Microwave irradiation

With hydrogenchloride; N-Bromosuccinimide; sodium hydride; In tetrahydrofuran; 1,4-dioxane; dichloromethane; mineral oil;
DOI:10.1021/jm5010336