CAS No.1535212-07-7,GS9857 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1535212-07-7
Name:	GS9857
Article Data:	2

Formula:	C40H52F4N6O9S
Molecular Weight:	868.947
Synonyms:	GS9857;Voxilaprevir
EINECS:	-0
Density:	1.42±0.1 g/cm3(Predicted)
PSA:	203.60000
LogP:	7.08580

Synthetic route

: 1026200-25-8
methyl 3-methyl-N-({[(1R,2R)-2-pent-4-en-1-ylcyclopropyl]oxy}carbonyl)-L-valinate

: 1535212-07-7
(1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1 R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-18,18-difluoro-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,1 0,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide

Conditions

Conditions	Yield
Multi-step reaction with 9 steps 1.1: lithium hydroxide monohydrate / water; methanol / 4 h / 60 °C 2.1: sodium periodate; osmium(VIII) oxide / water; tetrahydrofuran / 72 h 3.1: sodium tetrahydroborate / methanol / 6 h / 0 - 20 °C 4.1: ortho-nitrophenyl selenocyanate; tributylphosphine / tetrahydrofuran / 0.42 h / 0 - 20 °C 4.2: 2 h / 0 - 60 °C 5.1: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 20 °C 6.1: 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene[2-(iso-propoxy)-5-(N,N-dimethylaminosulfonyl)phenyl]methylene ruthenium(II) dichloride / 1,2-dichloro-ethane / 1.33 h / 100 °C / Inert atmosphere 7.1: palladium 10% on activated carbon; hydrogen / ethanol / 2.5 h / 760.05 Torr 8.1: trifluoroacetic acid / dichloromethane / 3 h / 20 °C 9.1: N-ethyl-N,N-diisopropylamine; HATU; dmap / N,N-dimethyl-formamide / 0.67 h / 20 °C View Scheme

Yield

Multi-step reaction with 9 steps
1.1: lithium hydroxide monohydrate / water; methanol / 4 h / 60 °C
2.1: sodium periodate; osmium(VIII) oxide / water; tetrahydrofuran / 72 h
3.1: sodium tetrahydroborate / methanol / 6 h / 0 - 20 °C
4.1: ortho-nitrophenyl selenocyanate; tributylphosphine / tetrahydrofuran / 0.42 h / 0 - 20 °C
4.2: 2 h / 0 - 60 °C
5.1: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 20 °C
6.1: 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene[2-(iso-propoxy)-5-(N,N-dimethylaminosulfonyl)phenyl]methylene ruthenium(II) dichloride / 1,2-dichloro-ethane / 1.33 h / 100 °C / Inert atmosphere
7.1: palladium 10% on activated carbon; hydrogen / ethanol / 2.5 h / 760.05 Torr
8.1: trifluoroacetic acid / dichloromethane / 3 h / 20 °C
9.1: N-ethyl-N,N-diisopropylamine; HATU; dmap / N,N-dimethyl-formamide / 0.67 h / 20 °C
View Scheme