(3S,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7,7-difluorooctahydropyrrolo[1,2-a]pyrazine-3-carboxamide dihydrochloride

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Chemical Name:(3S,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7,7-difluorooctahydropyrrolo[1,2-a]pyrazine-3-carboxamide dihydrochloride
CAS No.:1266228-04-9
Molecular Formula:C₂₉H₃₉F₄N₅O₄
Molecular Weight:597.653
Hs Code.:

(3S,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7,7-difluorooctahydropyrrolo[1,2-a]pyrazine-3-carboxamide dihydrochloride

Synonyms:(3S,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7,7-difluorooctahydropyrrolo[1,2-a]pyrazine-3-carboxamide dihydrochloride

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Chemical Property of (3S,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7,7-difluorooctahydropyrrolo[1,2-a]pyrazine-3-carboxamide dihydrochloride

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Technology Process of (3S,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7,7-difluorooctahydropyrrolo[1,2-a]pyrazine-3-carboxamide dihydrochloride

There total 15 articles about (3S,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7,7-difluorooctahydropyrrolo[1,2-a]pyrazine-3-carboxamide dihydrochloride 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: 16.0%

: 1266231-25-7
tert-butyl [(1S)-2-({(1S)-1-(4,4-difluorocyclohexyl)-2-[(3S,8aR)-3-[(4R)-3,4-dihyro-2H-chromen-4-yl-carbamoyl]-7,7-difluorohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-oxoethyl}amino)-1-methyl-2-oxoethyl]methylcarbamate

: 1266228-04-9
(3S,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7,7-difluorooctahydropyrrolo[1,2-a]pyrazine-3-carboxamide dihydrochloride

Guidance literature:: With hydrogenchloride; In ethyl acetate; at 20 ℃; for 1h;
DOI:10.1021/jm301674z

Reference yield:

: (3S,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7,7-difluorooctahydropyrrolo[1,2-a]pyrazine-3-carboxamide dihydrochloride

: 1266228-04-9
(3S,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7,7-difluorooctahydropyrrolo[1,2-a]pyrazine-3-carboxamide dihydrochloride

Guidance literature:: With sodium hydrogencarbonate; In water; ethyl acetate;

Reference yield:

: 873581-24-9
methyl (2S)-{[(benzyloxy)carbonyl]amino}(1,4-dioxaspiro[4.5]dec-8-yl)ethanoate

: 1266228-04-9
(3S,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7,7-difluorooctahydropyrrolo[1,2-a]pyrazine-3-carboxamide dihydrochloride

Guidance literature:: Multi-step reaction with 7 steps

1.1: dichloro-acetic acid / tetrahydrofuran; water; acetic acid / 3 h / 30 °C

2.1: diethylamino-sulfur trifluoride / dichloromethane / 1 h / 20 °C

2.2: 5 h / 20 °C

3.1: lithium hydroxide monohydrate / tetrahydrofuran; water / 2 h / 0 - 20 °C

4.1: HATU; dmap / N,N-dimethyl-formamide / 18 h / 0 - 20 °C

5.1: hydrogenchloride; palladium 10% on activated carbon; hydrogen / methanol / 2 h / 20 °C / 2280.15 Torr

6.1: benzotriazol-1-ol; dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 18 h / 20 °C

7.1: hydrogenchloride / ethyl acetate / 1 h / 20 °C

With hydrogenchloride; dichloro-acetic acid; dmap; lithium hydroxide monohydrate; diethylamino-sulfur trifluoride; palladium 10% on activated carbon; hydrogen; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; HATU; In tetrahydrofuran; methanol; dichloromethane; water; acetic acid; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1021/jm301674z