5-{[7-(2-chloro-4-fluorophenoxy)-1-cyano-4-hydroxyisoquinoline-3-carbonyl]amino}pentanoic acid

Base Information

Chemical Name:5-{[7-(2-chloro-4-fluorophenoxy)-1-cyano-4-hydroxyisoquinoline-3-carbonyl]amino}pentanoic acid
CAS No.:1455089-01-6
Molecular Formula:C₂₂H₁₇ClFN₃O₅
Molecular Weight:457.845
Hs Code.:

Synonyms:5-{[7-(2-chloro-4-fluorophenoxy)-1-cyano-4-hydroxyisoquinoline-3-carbonyl]amino}pentanoic acid

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Chemical Property of 5-{[7-(2-chloro-4-fluorophenoxy)-1-cyano-4-hydroxyisoquinoline-3-carbonyl]amino}pentanoic acid

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Technology Process of 5-{[7-(2-chloro-4-fluorophenoxy)-1-cyano-4-hydroxyisoquinoline-3-carbonyl]amino}pentanoic acid

There total 6 articles about 5-{[7-(2-chloro-4-fluorophenoxy)-1-cyano-4-hydroxyisoquinoline-3-carbonyl]amino}pentanoic acid 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: 45.0%

: 1455093-60-3
1-cyano-4-hydroxy-7-(4-fluoro-2-chlorophenoxy)isoquinoline-3-carboxylic acid ethyl ester

: 660-88-8
5-aminopentanoic acid

: 1455089-01-6
5-{[7-(2-chloro-4-fluorophenoxy)-1-cyano-4-hydroxyisoquinoline-3-carbonyl]amino}pentanoic acid

Guidance literature:: With sodium methylate; In methanol; at 130 ℃; for 1h;

Reference yield:

: 4-(2-chloro-4-fluorophenoxy)-2-{[(2,5-dimethoxybenzyl)(ethoxycarbonylmethyl)amino]methyl}benzoic acid ethyl ester

: 1455089-01-6
5-{[7-(2-chloro-4-fluorophenoxy)-1-cyano-4-hydroxyisoquinoline-3-carbonyl]amino}pentanoic acid

Guidance literature:: Multi-step reaction with 4 steps

1.1: potassium 2-methylbutan-2-olate / tetrahydrofuran; toluene / 2.33 h / -78 - 20 °C

1.2: 20 °C

2.1: N-Bromosuccinimide / dichloromethane / 3 h / Reflux

3.1: 1-methyl-pyrrolidin-2-one / 3 h / 130 °C / Inert atmosphere

3.2: 72 h / 20 °C

4.1: sodium methylate / methanol / 1 h / 130 °C

With N-Bromosuccinimide; sodium methylate; potassium 2-methylbutan-2-olate; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; methanol; dichloromethane; toluene;

Reference yield:

: 1996-41-4
2-chloro-4-fluorophenol

: 1455089-01-6
5-{[7-(2-chloro-4-fluorophenoxy)-1-cyano-4-hydroxyisoquinoline-3-carbonyl]amino}pentanoic acid

Guidance literature:: Multi-step reaction with 5 steps

1.1: copper(l) chloride; 2,2,6,6-tetramethylheptane-3,5-dione; caesium carbonate / 1-methyl-pyrrolidin-2-one / 24 h / 130 °C / Inert atmosphere

2.1: potassium 2-methylbutan-2-olate / tetrahydrofuran; toluene / 2.33 h / -78 - 20 °C

2.2: 20 °C

3.1: N-Bromosuccinimide / dichloromethane / 3 h / Reflux

4.1: 1-methyl-pyrrolidin-2-one / 3 h / 130 °C / Inert atmosphere

4.2: 72 h / 20 °C

5.1: sodium methylate / methanol / 1 h / 130 °C

With N-Bromosuccinimide; 2,2,6,6-tetramethylheptane-3,5-dione; sodium methylate; potassium 2-methylbutan-2-olate; caesium carbonate; copper(l) chloride; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; methanol; dichloromethane; toluene;