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

Base Information

Chemical Name:4-[6-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-5-methyl-3,4-dihydro-2(1H)-isoquinolinyl]butanoic acid sodium salt
CAS No.:1258440-16-2
Molecular Formula:C₂₆H₂₇N₄O₃S*Na
Molecular Weight:498.581
Hs Code.:

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

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

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

There total 18 articles about 4-[6-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-5-methyl-3,4-dihydro-2(1H)-isoquinolinyl]butanoic acid sodium salt 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: 74.0%

: 1258440-74-2
ethyl 4-[6-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-5-methyl-3,4-dihydro-2(1H)-isoquinolinyl]butanoate

: 1258440-16-2
4-[6-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-5-methyl-3,4-dihydro-2(1H)-isoquinolinyl]butanoic acid sodium salt

Guidance literature:: With water; sodium hydroxide; In ethanol; at 50 ℃; for 1h;

Reference yield:

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

: 1258440-16-2
4-[6-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-5-methyl-3,4-dihydro-2(1H)-isoquinolinyl]butanoic acid sodium salt

Guidance literature:: Multi-step reaction with 6 steps

1.1: trichlorophosphate / 3 h / 90 °C

1.2: 35 °C / pH 10 / Cooling with ice

2.1: copper(ll) bromide; tert.-butylnitrite / acetonitrile / 20 - 70 °C

3.1: sodium carbonate / dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / 1,2-dimethoxyethane; water / 6 h / Inert atmosphere

4.1: hydrogenchloride / 1,4-dioxane / 3.33 h / 25 °C / Inert atmosphere

5.1: potassium carbonate / N,N-dimethyl-formamide / 8 h / 70 °C

6.1: sodium hydroxide / ethanol / 2 h / 20 - 50 °C

With hydrogenchloride; tert.-butylnitrite; sodium carbonate; potassium carbonate; sodium hydroxide; copper(ll) bromide; trichlorophosphate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In 1,4-dioxane; 1,2-dimethoxyethane; ethanol; water; N,N-dimethyl-formamide; acetonitrile;

Reference yield:

: 611-20-1
salicylonitrile

: 1258440-16-2
4-[6-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-5-methyl-3,4-dihydro-2(1H)-isoquinolinyl]butanoic acid sodium salt

Guidance literature:: Multi-step reaction with 8 steps

1: trifluorormethanesulfonic acid; N-iodo-succinimide / acetonitrile / 0 - 20 °C

2: potassium carbonate / acetonitrile / Reflux

3: potassium acetate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 90 °C / Inert atmosphere

4: sodium carbonate / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,2-dimethoxyethane; water / Reflux; Inert atmosphere

5: sodium carbonate / dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / 1,2-dimethoxyethane; water / 6 h / Inert atmosphere

6: hydrogenchloride / 1,4-dioxane / 3.33 h / 25 °C / Inert atmosphere

7: potassium carbonate / N,N-dimethyl-formamide / 8 h / 70 °C

8: sodium hydroxide / ethanol / 2 h / 20 - 50 °C

With hydrogenchloride; N-iodo-succinimide; trifluorormethanesulfonic acid; potassium acetate; sodium carbonate; potassium carbonate; sodium hydroxide; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In 1,4-dioxane; 1,2-dimethoxyethane; ethanol; water; N,N-dimethyl-formamide; acetonitrile;