1,1-dimethylethyl 5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate

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Chemical Name:1,1-dimethylethyl 5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate
CAS No.:1165923-65-8
Molecular Formula:C₂₆H₂₈N₄O₄
Molecular Weight:460.533
Hs Code.:

Synonyms:1,1-dimethylethyl 5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate

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

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

There total 7 articles about 1,1-dimethylethyl 5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate 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: 37.0%

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

: 1165923-57-8
1,1-dimethylethyl 5-hydroxyamino(imino)methyl-3,4-dihydro-2(1H)-isoquinolinecarboxylate

: 1165923-65-8
1,1-dimethylethyl 5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate

Guidance literature:: 3-cyano-4-isopropoxybenzoic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 1.5h;

1,1-dimethylethyl 5-hydroxyamino(imino)methyl-3,4-dihydro-2(1H)-isoquinolinecarboxylate; With dmap; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 - 95 ℃; for 19h;

Reference yield: 31.0%

: 1072948-37-8
3-cyano-4-[(1-methylethyl)oxy]benzoyl chloride

: 1165923-57-8
1,1-dimethylethyl 5-[(hydroxyamino)(imino)methyl]-3,4-dihydro-2(1H)-isoquinolinecarboxylate

: 1165923-65-8
1,1-dimethylethyl 5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate

Guidance literature:: With dmap; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 - 95 ℃; for 19h;
DOI:10.1021/jm5010336

Reference yield:

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

: 1165923-65-8
1,1-dimethylethyl 5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: oxalyl dichloride / N,N-dimethyl-formamide / 4 h / 20 °C

2: pyridine / toluene / 3 h / 120 °C / Reflux

With pyridine; oxalyl dichloride; N,N-dimethyl-formamide; In toluene;