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

Base Information

Chemical Name:3-{[7-(2-chloro-4-fluorophenoxy)-1-cyano-4-hydroxyisoquinoline-3-carbonyl]amino}-2,2-dimethylpropionic acid
CAS No.:1455089-03-8
Molecular Formula:C₂₂H₁₇ClFN₃O₅
Molecular Weight:457.845
Hs Code.:

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

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

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

There total 8 articles about 3-{[7-(2-chloro-4-fluorophenoxy)-1-cyano-4-hydroxyisoquinoline-3-carbonyl]amino}-2,2-dimethylpropionic 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: 66.0%

: 1455093-66-9
3-{[7-(2-chloro-4-fluorophenoxy)-1-cyano-4-hydroxyisoquinoline-3-carbonyl]amino}-2,2-dimethylpropionic acid tert-butyl ester

: 1455089-03-8
3-{[7-(2-chloro-4-fluorophenoxy)-1-cyano-4-hydroxyisoquinoline-3-carbonyl]amino}-2,2-dimethylpropionic acid

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 4h;

Reference yield:

: 1455096-45-3
4-bromo-2-{[(2,5-dimethoxybenzyl)(ethoxycarbonylmethyl)amino]methyl}benzoic acid ethyl ester

: 1455089-03-8
3-{[7-(2-chloro-4-fluorophenoxy)-1-cyano-4-hydroxyisoquinoline-3-carbonyl]amino}-2,2-dimethylpropionic acid

Guidance literature:: Multi-step reaction with 6 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: methanol / 1 h / 130 °C / Microwave irradiation

6.1: trifluoroacetic acid / dichloromethane / 4 h / 20 °C

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

Reference yield:

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

: 1455089-03-8
3-{[7-(2-chloro-4-fluorophenoxy)-1-cyano-4-hydroxyisoquinoline-3-carbonyl]amino}-2,2-dimethylpropionic acid

Guidance literature:: Multi-step reaction with 5 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: methanol / 1 h / 130 °C / Microwave irradiation

5.1: trifluoroacetic acid / dichloromethane / 4 h / 20 °C

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