4-{3-[(tert-butoxycarbonyl)amino]-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl}benzyl 2,4-dimethylbenzoate

Base Information

Chemical Name:4-{3-[(tert-butoxycarbonyl)amino]-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl}benzyl 2,4-dimethylbenzoate
CAS No.:1253955-17-7
Molecular Formula:C₃₃H₃₅N₃O₅
Molecular Weight:553.658
Hs Code.:

Synonyms:4-{3-[(tert-butoxycarbonyl)amino]-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl}benzyl 2,4-dimethylbenzoate

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Chemical Property of 4-{3-[(tert-butoxycarbonyl)amino]-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl}benzyl 2,4-dimethylbenzoate

Chemical Property:

Purity/Quality:: 99%, ^*data from raw suppliers

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Technology Process of 4-{3-[(tert-butoxycarbonyl)amino]-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl}benzyl 2,4-dimethylbenzoate

There total 11 articles about 4-{3-[(tert-butoxycarbonyl)amino]-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl}benzyl 2,4-dimethylbenzoate 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:

: 1253955-14-4
tert-butyl 2-(4-(hydroxymethyl)phenyl)-3-(isoquinolin-6-ylamino)-3-oxopropylcarbamate

: 611-01-8
2,4-dimethyl-benzoic acid

: 1253955-17-7
4-{3-[(tert-butoxycarbonyl)amino]-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl}benzyl 2,4-dimethylbenzoate

Guidance literature:: With pyridine; dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride;

Reference yield:

: 4248-19-5
tert-butyl carbazate

: 1253955-17-7
4-{3-[(tert-butoxycarbonyl)amino]-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl}benzyl 2,4-dimethylbenzoate

Guidance literature:: Multi-step reaction with 4 steps

1.1: toluene-4-sulfonic acid / toluene / Dean-Stark; Reflux; Inert atmosphere

2.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.5 h / -78 °C / Acidic conditions

2.2: -78 - -25 °C / Inert atmosphere

3.1: lithium hydroxide monohydrate; dihydrogen peroxide / water; tetrahydrofuran / 0.75 h / 0 °C / Inert atmosphere

4.1: ((3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V); N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 4 h / Inert atmosphere

With lithium hydroxide monohydrate; dihydrogen peroxide; toluene-4-sulfonic acid; N-ethyl-N,N-diisopropylamine; ((3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V); lithium hexamethyldisilazane; In tetrahydrofuran; water; N,N-dimethyl-formamide; toluene;
DOI:10.1055/s-0037-1610310

Reference yield:

: 73401-74-8
4-hydroxymethylphenylacetic acid

: 1253955-17-7
4-{3-[(tert-butoxycarbonyl)amino]-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl}benzyl 2,4-dimethylbenzoate

Guidance literature:: Multi-step reaction with 8 steps

1.1: sulfuric acid / 1 h / 0 °C / Inert atmosphere

2.1: pyridine; dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / Inert atmosphere

3.1: lithium hydroxide monohydrate / water; acetonitrile; 1,4-dioxane / 0.67 h / 0 - 20 °C / Inert atmosphere

4.1: oxalyl dichloride; N,N-dimethyl-formamide / tetrahydrofuran / 1.25 h / 0 °C / Inert atmosphere

5.1: n-butyllithium / tetrahydrofuran / 0.33 h / -78 °C / Inert atmosphere

5.2: 1 h / -78 °C / Inert atmosphere

6.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.5 h / -78 °C / Acidic conditions

6.2: -78 - -25 °C / Inert atmosphere

7.1: lithium hydroxide monohydrate; dihydrogen peroxide / water; tetrahydrofuran / 0.75 h / 0 °C / Inert atmosphere

8.1: ((3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V); N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 4 h / Inert atmosphere

With pyridine; dmap; n-butyllithium; oxalyl dichloride; lithium hydroxide monohydrate; sulfuric acid; dihydrogen peroxide; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; N,N-dimethyl-formamide; ((3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V); lithium hexamethyldisilazane; In tetrahydrofuran; 1,4-dioxane; water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1055/s-0037-1610310