sodium 3-[6-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-5-methyl-3,4-dihydro-2(1H)-isoquinolinyl]propanoate

Base Information

Chemical Name:sodium 3-[6-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-5-methyl-3,4-dihydro-2(1H)-isoquinolinyl]propanoate
CAS No.:1165923-54-5
Molecular Formula:C₂₅H₂₅N₄O₄*Na
Molecular Weight:468.488
Hs Code.:

Synonyms:sodium 3-[6-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-5-methyl-3,4-dihydro-2(1H)-isoquinolinyl]propanoate

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of sodium 3-[6-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-5-methyl-3,4-dihydro-2(1H)-isoquinolinyl]propanoate

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Purity/Quality:: 98% ^*data from raw suppliers

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Technology Process of sodium 3-[6-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-5-methyl-3,4-dihydro-2(1H)-isoquinolinyl]propanoate

There total 17 articles about sodium 3-[6-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-5-methyl-3,4-dihydro-2(1H)-isoquinolinyl]propanoate 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: 91.0%

: 1165924-09-3
ethyl 3-[6-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-5-methyl-3,4-dihydro-2(1H)-isoquinolinyl]propanoate

: 1165923-54-5
sodium 3-[6-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-5-methyl-3,4-dihydro-2(1H)-isoquinolinyl]propanoate

Guidance literature:: With water; sodium hydroxide; In ethanol; at 20 ℃; for 3h;
DOI:10.1021/ml2000214

Reference yield:

: 1165923-89-6
1,1-dimethylethyl 6-hydroxy-5-methyl-3,4-dihydro-2(1H)-isoquinolinecarboxylate

: 1165923-54-5
sodium 3-[6-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-5-methyl-3,4-dihydro-2(1H)-isoquinolinyl]propanoate

Guidance literature:: Multi-step reaction with 7 steps

1: pyridine / dichloromethane / -30 - 20 °C / Inert atmosphere

2: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / N,N-dimethyl-formamide / 6 h / 100 °C / Inert atmosphere

3: hydroxylamine hydrochloride; sodium hydrogencarbonate / ethanol / 28.5 h / Reflux

4: pyridine / toluene / 15.33 h / 20 - 80 °C

5: dichloromethane / 1 h / 0 °C

6: 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile / 3 h / 20 °C

7: sodium hydroxide / ethanol / 1 h / 50 °C

With pyridine; hydroxylamine hydrochloride; sodium hydrogencarbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; sodium hydroxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In ethanol; dichloromethane; N,N-dimethyl-formamide; toluene; acetonitrile;

Reference yield:

: 1165923-91-0
1,1-dimethylethyl 5-methyl-6-{[(trifluoromethyl)sulfonyl]oxy}-3,4-dihydro-2(1H)-isoquinolinecarboxylate

: 1165923-54-5
sodium 3-[6-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-5-methyl-3,4-dihydro-2(1H)-isoquinolinyl]propanoate

Guidance literature:: Multi-step reaction with 6 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / N,N-dimethyl-formamide / 6 h / 100 °C / Inert atmosphere

2: hydroxylamine hydrochloride; sodium hydrogencarbonate / ethanol / 28.5 h / Reflux

3: pyridine / toluene / 15.33 h / 20 - 80 °C

4: dichloromethane / 1 h / 0 °C

5: 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile / 3 h / 20 °C

6: sodium hydroxide / ethanol / 1 h / 50 °C

With pyridine; hydroxylamine hydrochloride; sodium hydrogencarbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; sodium hydroxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In ethanol; dichloromethane; N,N-dimethyl-formamide; toluene; acetonitrile;