benzyl 6-[(3S,9S,14aR)-9-benzyl-6,6-dimethyl-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl]-4-(ethoxycarbonothioylthio)hexanoate

Base Information

Chemical Name:benzyl 6-[(3S,9S,14aR)-9-benzyl-6,6-dimethyl-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl]-4-(ethoxycarbonothioylthio)hexanoate
CAS No.:1247052-87-4
Molecular Formula:C₃₆H₄₆N₄O₇S₂
Molecular Weight:710.916
Hs Code.:

benzyl 6-[(3S,9S,14aR)-9-benzyl-6,6-dimethyl-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl]-4-(ethoxycarbonothioylthio)hexanoate

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Chemical Property of benzyl 6-[(3S,9S,14aR)-9-benzyl-6,6-dimethyl-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl]-4-(ethoxycarbonothioylthio)hexanoate

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Technology Process of benzyl 6-[(3S,9S,14aR)-9-benzyl-6,6-dimethyl-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl]-4-(ethoxycarbonothioylthio)hexanoate

There total 5 articles about benzyl 6-[(3S,9S,14aR)-9-benzyl-6,6-dimethyl-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl]-4-(ethoxycarbonothioylthio)hexanoate 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: 90.0%

: 1247052-70-5
S-(2-benzyloxy-2-oxoethyl) O-ethyl carbonodithioate

: 1247052-65-8
(-)-(3S,9S,14aR)-9-benzyl-3-(but-3-enyl)-6,6-dimethyldecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10-tetraone

: 1247052-87-4
benzyl 6-[(3S,9S,14aR)-9-benzyl-6,6-dimethyl-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl]-4-(ethoxycarbonothioylthio)hexanoate

Guidance literature:: S-(2-benzyloxy-2-oxoethyl) O-ethyl carbonodithioate; (-)-(3S,9S,14aR)-9-benzyl-3-(but-3-enyl)-6,6-dimethyldecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10-tetraone; In 1,2-dichloro-ethane; for 0.5h; Inert atmosphere; Reflux;

With dilauryl peroxide; In 1,2-dichloro-ethane; Inert atmosphere; Reflux;
DOI:10.1021/jo4001492

Reference yield: 90.0%

: 1247052-87-4
benzyl 6-[(3S,9S,14aR)-9-benzyl-6,6-dimethyl-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl]-4-(ethoxycarbonothioylthio)hexanoate

Guidance literature:

Reference yield:

: C₂₈H₄₂N₄O₅*C₂HF₃O₂

: 1247052-87-4
benzyl 6-[(3S,9S,14aR)-9-benzyl-6,6-dimethyl-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl]-4-(ethoxycarbonothioylthio)hexanoate

Guidance literature:: Multi-step reaction with 2 steps

1.1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-1H-1,2,3-triazolo-[4,5-b]pyridin-1-ylmethylene]-N-methylmethanaminium hexafluorophosphate N-oxide / N,N-dimethyl-formamide / 20 °C

2.1: 1,2-dichloro-ethane / 0.5 h / Inert atmosphere; Reflux

2.2: Inert atmosphere; Reflux

With N-[(dimethylamino)-1H-1,2,3-triazolo-[4,5-b]pyridin-1-ylmethylene]-N-methylmethanaminium hexafluorophosphate N-oxide; N-ethyl-N,N-diisopropylamine; In 1,2-dichloro-ethane; N,N-dimethyl-formamide;
DOI:10.1021/jo4001492