(trans-4-{4-[4-amino-2-(3-methylbutoxy)-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl]phenyl}cyclohexyl)acetic acid trifluoroacetate

Base Information

Chemical Name:(trans-4-{4-[4-amino-2-(3-methylbutoxy)-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl]phenyl}cyclohexyl)acetic acid trifluoroacetate
CAS No.:1398551-70-6
Molecular Formula:C₂HF₃O₂*C₂₆H₃₄N₄O₅
Molecular Weight:596.604
Hs Code.:

Synonyms:(trans-4-{4-[4-amino-2-(3-methylbutoxy)-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl]phenyl}cyclohexyl)acetic acid trifluoroacetate

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Chemical Property of (trans-4-{4-[4-amino-2-(3-methylbutoxy)-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl]phenyl}cyclohexyl)acetic acid trifluoroacetate

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Technology Process of (trans-4-{4-[4-amino-2-(3-methylbutoxy)-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl]phenyl}cyclohexyl)acetic acid trifluoroacetate

There total 10 articles about (trans-4-{4-[4-amino-2-(3-methylbutoxy)-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl]phenyl}cyclohexyl)acetic acid trifluoroacetate 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:

: 123-51-3
i-Amyl alcohol

: 1394002-61-9
(trans-4-{4-[4-amino-2-(methylsulfonyl)-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl]phenyl}cyclohexyl)acetic acid

: 76-05-1
trifluoroacetic acid

: 1398551-70-6
(trans-4-{4-[4-amino-2-(3-methylbutoxy)-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl]phenyl}cyclohexyl)acetic acid trifluoroacetate

Guidance literature:: i-Amyl alcohol; (trans-4-{4-[4-amino-2-(methylsulfonyl)-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl]phenyl}cyclohexyl)acetic acid; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at 20 ℃; for 18h;

With acetic acid; In N,N-dimethyl-formamide;

trifluoroacetic acid; In water; acetonitrile;

Reference yield:

: 105640-07-1
4-(4-hydroxyphenyl)cyclohexan-1-one

: 1398551-70-6
(trans-4-{4-[4-amino-2-(3-methylbutoxy)-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl]phenyl}cyclohexyl)acetic acid trifluoroacetate

Guidance literature:: Multi-step reaction with 11 steps

1.1: sodium hydride / tetrahydrofuran; mineral oil / 2 h / 0 - 20 °C / Inert atmosphere

1.2: 2 h / 0 - 20 °C / Inert atmosphere

2.1: hydrogen / palladium on activated charcoal / ethyl acetate / 20 °C

3.1: triethylamine / chloroform / 1 h / 0 °C / Inert atmosphere

4.1: caesium carbonate / palladium diacetate; XPhos / toluene / 116 °C / Inert atmosphere; Sealed tube

5.1: oxalyl dichloride / N,N-dimethyl-formamide / dichloromethane / 2 h / 20 °C / Inert atmosphere

5.2: 1 h / 0 - 20 °C

6.1: hydrogenchloride; water / methanol / 1 h / 20 °C

7.1: triethylamine / acetonitrile / 5 h / 80 °C

8.1: ammonia / 1,4-dioxane / 20 °C

9.1: water; lithium hydroxide / tetrahydrofuran / 16 h / 55 °C

9.2: 20 °C

10.1: magnesium bis(monoperoxyphthalate)hexahydrate / tetrahydrofuran / 16 h

11.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / N,N-dimethyl-formamide / 18 h / 20 °C

With hydrogenchloride; oxalyl dichloride; magnesium bis(monoperoxyphthalate)hexahydrate; ammonia; water; hydrogen; sodium hydride; caesium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; lithium hydroxide; palladium on activated charcoal; palladium diacetate; N,N-dimethyl-formamide; XPhos; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane; chloroform; ethyl acetate; N,N-dimethyl-formamide; toluene; acetonitrile; mineral oil;

Reference yield:

: 701232-66-8
[4-(4-hydroxyphenyl)cyclohexylidene]acetic acid methyl ester

: 1398551-70-6
(trans-4-{4-[4-amino-2-(3-methylbutoxy)-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl]phenyl}cyclohexyl)acetic acid trifluoroacetate

Guidance literature:: Multi-step reaction with 10 steps

1.1: hydrogen / palladium on activated charcoal / ethyl acetate / 20 °C

2.1: triethylamine / chloroform / 1 h / 0 °C / Inert atmosphere

3.1: caesium carbonate / palladium diacetate; XPhos / toluene / 116 °C / Inert atmosphere; Sealed tube

4.1: oxalyl dichloride / N,N-dimethyl-formamide / dichloromethane / 2 h / 20 °C / Inert atmosphere

4.2: 1 h / 0 - 20 °C

5.1: hydrogenchloride; water / methanol / 1 h / 20 °C

6.1: triethylamine / acetonitrile / 5 h / 80 °C

7.1: ammonia / 1,4-dioxane / 20 °C

8.1: water; lithium hydroxide / tetrahydrofuran / 16 h / 55 °C

8.2: 20 °C

9.1: magnesium bis(monoperoxyphthalate)hexahydrate / tetrahydrofuran / 16 h

10.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / N,N-dimethyl-formamide / 18 h / 20 °C

With hydrogenchloride; oxalyl dichloride; magnesium bis(monoperoxyphthalate)hexahydrate; ammonia; water; hydrogen; caesium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; lithium hydroxide; palladium on activated charcoal; palladium diacetate; N,N-dimethyl-formamide; XPhos; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane; chloroform; ethyl acetate; N,N-dimethyl-formamide; toluene; acetonitrile;