ethyl [5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2(1H)-isoquinolinyl]acetate formate

Base Information

Chemical Name:ethyl [5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2(1H)-isoquinolinyl]acetate formate
CAS No.:1165923-68-1
Molecular Formula:CH₂O₂*C₂₅H₂₆N₄O₄
Molecular Weight:492.532
Hs Code.:

Synonyms:ethyl [5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2(1H)-isoquinolinyl]acetate formate

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Chemical Property of ethyl [5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2(1H)-isoquinolinyl]acetate formate

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Technology Process of ethyl [5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2(1H)-isoquinolinyl]acetate formate

There total 8 articles about ethyl [5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2(1H)-isoquinolinyl]acetate formate 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: 32.0%

: 64-18-6
formic acid

: 1165923-29-4
2-isopropoxy-5-(3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-5-yl)benzonitrile

: 105-36-2
ethyl bromoacetate

: 1165923-68-1
ethyl [5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2(1H)-isoquinolinyl]acetate formate

Guidance literature:: 2-isopropoxy-5-(3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-5-yl)benzonitrile; ethyl bromoacetate; With caesium carbonate; In N,N-dimethyl-formamide; at 20 - 60 ℃; for 1.08333h; Microwave irradiation;

formic acid;

Reference yield: 32.0%

: 1165923-27-2
2-[(1-methylethyl)oxy]-5-[3-(1,2,3,4-tetrahydro-5-isoquinolinyl)-1,2,4-oxadiazol-5-yl]benzonitrile hydrochloride

: 105-36-2
ethyl bromoacetate

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 1165923-68-1
ethyl [5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2(1H)-isoquinolinyl]acetate formate

Guidance literature:: 2-[(1-methylethyl)oxy]-5-[3-(1,2,3,4-tetrahydro-5-isoquinolinyl)-1,2,4-oxadiazol-5-yl]benzonitrile hydrochloride; ethyl bromoacetate; N,N-dimethyl-formamide; With caesium carbonate; at 20 ℃; for 1h;

at 60 ℃; for 0.0833333h; Microwave irradiation;
DOI:10.1021/jm5010336

Reference yield:

: 258273-31-3
3-cyano-4-isopropoxybenzoic acid

: 1165923-68-1
ethyl [5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2(1H)-isoquinolinyl]acetate formate

Guidance literature:: Multi-step reaction with 4 steps

1.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 1.5 h / 20 °C

2.1: dmap; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 19 h / 20 - 95 °C

3.1: hydrogenchloride / 1,4-dioxane / 64 h / 20 °C

4.1: caesium carbonate / 1 h / 20 °C

4.2: 0.08 h / 60 °C / Microwave irradiation

With hydrogenchloride; dmap; oxalyl dichloride; caesium carbonate; N-ethyl-N,N-diisopropylamine; N,N-dimethyl-formamide; In 1,4-dioxane; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm5010336