3-((2-(5-fluoropyrimidin-2-ylamino)-7-(4-methoxybenzyl)-4,5-dihydropyrazolo[3,4-b]thiazolo[4,5-d]azepin-6(7H)-yl)methyl)benzonitrile

Base Information

Chemical Name:3-((2-(5-fluoropyrimidin-2-ylamino)-7-(4-methoxybenzyl)-4,5-dihydropyrazolo[3,4-b]thiazolo[4,5-d]azepin-6(7H)-yl)methyl)benzonitrile
CAS No.:1448437-74-8
Molecular Formula:C₂₈H₂₃FN₈OS
Molecular Weight:538.608
Hs Code.:

Synonyms:3-((2-(5-fluoropyrimidin-2-ylamino)-7-(4-methoxybenzyl)-4,5-dihydropyrazolo[3,4-b]thiazolo[4,5-d]azepin-6(7H)-yl)methyl)benzonitrile

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Chemical Property of 3-((2-(5-fluoropyrimidin-2-ylamino)-7-(4-methoxybenzyl)-4,5-dihydropyrazolo[3,4-b]thiazolo[4,5-d]azepin-6(7H)-yl)methyl)benzonitrile

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Technology Process of 3-((2-(5-fluoropyrimidin-2-ylamino)-7-(4-methoxybenzyl)-4,5-dihydropyrazolo[3,4-b]thiazolo[4,5-d]azepin-6(7H)-yl)methyl)benzonitrile

There total 13 articles about 3-((2-(5-fluoropyrimidin-2-ylamino)-7-(4-methoxybenzyl)-4,5-dihydropyrazolo[3,4-b]thiazolo[4,5-d]azepin-6(7H)-yl)methyl)benzonitrile 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: 41.0%

: 1322703-83-2
1-(5-fluoropyrimidin-2-yl)thiourea

: 1448437-73-7
3-((5-bromo-1-(4-methoxybenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[3,4-b]azepin-8(1H)-yl)methyl)benzonitrile

: 1448437-74-8
3-((2-(5-fluoropyrimidin-2-ylamino)-7-(4-methoxybenzyl)-4,5-dihydropyrazolo[3,4-b]thiazolo[4,5-d]azepin-6(7H)-yl)methyl)benzonitrile

Guidance literature:: In ethanol; acetone; at 50 - 70 ℃; Inert atmosphere;

Reference yield:

: 1105039-59-5
N-methoxy-1-(4-methoxybenzyl)-N-methyl-1H-pyrazole-4-carboxamide

: 1448437-74-8
3-((2-(5-fluoropyrimidin-2-ylamino)-7-(4-methoxybenzyl)-4,5-dihydropyrazolo[3,4-b]thiazolo[4,5-d]azepin-6(7H)-yl)methyl)benzonitrile

Guidance literature:: Multi-step reaction with 9 steps

1.1: lithium diisopropyl amide / water; tetrahydrofuran / 1.67 h / -78 - -40 °C / Inert atmosphere

1.2: 2 h / -78 °C

2.1: 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; caesium carbonate; palladium diacetate / 1,4-dioxane / 8 h / 110 °C / Inert atmosphere

3.1: sodium hydride / water; tetrahydrofuran; N,N-dimethyl-formamide / 0.5 h / 0 °C / Inert atmosphere

3.2: 0.5 h / 20 °C

4.1: water; tetrahydrofuran / 1 h / 0 °C / Inert atmosphere

5.1: Grubbs catalyst first generation / 1,2-dichloro-ethane / 5 h / 20 °C / Reflux; Inert atmosphere

6.1: acetic acid; palladium(II) hydroxide; hydrogen / ethanol / 6 h / 20 °C / Inert atmosphere

7.1: 18-crown-6 ether; potassium tert-butylate / tetrahydrofuran / 0.08 h / 20 °C / Inert atmosphere

7.2: Reflux

8.1: copper(ll) bromide / methanol / 4 h / 20 °C / Reflux; Inert atmosphere

9.1: ethanol; acetone / 50 - 70 °C / Inert atmosphere

With Grubbs catalyst first generation; 18-crown-6 ether; potassium tert-butylate; hydrogen; palladium diacetate; palladium(II) hydroxide; sodium hydride; caesium carbonate; acetic acid; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; copper(ll) bromide; lithium diisopropyl amide; In tetrahydrofuran; 1,4-dioxane; methanol; ethanol; water; 1,2-dichloro-ethane; N,N-dimethyl-formamide; acetone; 2.1: |Buchwald-Hartwig Coupling;

Reference yield:

: 1448437-66-8
5-bromo-N-methoxy-1-(4-methoxybenzyl)-N-methyl-1H-pyrazole-4-carboxamide

: 1448437-74-8
3-((2-(5-fluoropyrimidin-2-ylamino)-7-(4-methoxybenzyl)-4,5-dihydropyrazolo[3,4-b]thiazolo[4,5-d]azepin-6(7H)-yl)methyl)benzonitrile

Guidance literature:: Multi-step reaction with 8 steps

1.1: 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; caesium carbonate; palladium diacetate / 1,4-dioxane / 8 h / 110 °C / Inert atmosphere

2.1: sodium hydride / water; tetrahydrofuran; N,N-dimethyl-formamide / 0.5 h / 0 °C / Inert atmosphere

2.2: 0.5 h / 20 °C

3.1: water; tetrahydrofuran / 1 h / 0 °C / Inert atmosphere

4.1: Grubbs catalyst first generation / 1,2-dichloro-ethane / 5 h / 20 °C / Reflux; Inert atmosphere

5.1: acetic acid; palladium(II) hydroxide; hydrogen / ethanol / 6 h / 20 °C / Inert atmosphere

6.1: 18-crown-6 ether; potassium tert-butylate / tetrahydrofuran / 0.08 h / 20 °C / Inert atmosphere

6.2: Reflux

7.1: copper(ll) bromide / methanol / 4 h / 20 °C / Reflux; Inert atmosphere

8.1: ethanol; acetone / 50 - 70 °C / Inert atmosphere

With Grubbs catalyst first generation; 18-crown-6 ether; potassium tert-butylate; hydrogen; palladium diacetate; palladium(II) hydroxide; sodium hydride; caesium carbonate; acetic acid; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; copper(ll) bromide; In tetrahydrofuran; 1,4-dioxane; methanol; ethanol; water; 1,2-dichloro-ethane; N,N-dimethyl-formamide; acetone; 1.1: |Buchwald-Hartwig Coupling;