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

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Chemical Name:1,1-dimethylethyl N-[5-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1-isoquinolinyl]-β-alaninate
CAS No.:1192829-67-6
Molecular Formula:C₂₇H₂₉ClN₄O₄
Molecular Weight:509.005
Hs Code.:

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

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

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

There total 8 articles about 1,1-dimethylethyl N-[5-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1-isoquinolinyl]-β-alaninate 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:

: 1192829-65-4
1-chloro-5-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)isoquinoline

: 15231-41-1
tert-butyl 3-aminopropanoate

: 1192829-67-6
1,1-dimethylethyl N-[5-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1-isoquinolinyl]-β-alaninate

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one; at 180 ℃; for 1h; Microwave irradiation;

Reference yield:

: 213598-07-3
3-chloro-4-isopropoxy-benzoic acid

: 1192829-67-6
1,1-dimethylethyl N-[5-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1-isoquinolinyl]-β-alaninate

Guidance literature:: Multi-step reaction with 4 steps

1: triethylamine; HATU / 2.5 h / 20 - 130 °C / Microwave irradiation

2: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 1.5 h / 20 °C

3: trichlorophosphate / 4.25 h / 20 - 65 °C / Inert atmosphere

4: N-ethyl-N,N-diisopropylamine / 1-methyl-pyrrolidin-2-one / 1 h / 180 °C / Microwave irradiation

With triethylamine; N-ethyl-N,N-diisopropylamine; 3-chloro-benzenecarboperoxoic acid; HATU; trichlorophosphate; In 1-methyl-pyrrolidin-2-one; dichloromethane;

Reference yield:

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

: 1192829-67-6
1,1-dimethylethyl N-[5-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1-isoquinolinyl]-β-alaninate

Guidance literature:: Multi-step reaction with 6 steps

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

2.1: water; sodium hydroxide / methanol / 20 °C

2.2: pH 1 - 2 / Acidification

3.1: triethylamine; HATU / 2.5 h / 20 - 130 °C / Microwave irradiation

4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 1.5 h / 20 °C

5.1: trichlorophosphate / 4.25 h / 20 - 65 °C / Inert atmosphere

6.1: N-ethyl-N,N-diisopropylamine / 1-methyl-pyrrolidin-2-one / 1 h / 180 °C / Microwave irradiation

With water; potassium carbonate; triethylamine; N-ethyl-N,N-diisopropylamine; 3-chloro-benzenecarboperoxoic acid; HATU; sodium hydroxide; trichlorophosphate; In 1-methyl-pyrrolidin-2-one; methanol; dichloromethane; N,N-dimethyl-formamide;