(3S,4R,7S,13S,16S,19S,24aR)-7,19-dibenzyl-13-isobutyl-3,16-dimethyl-4-(phenylthio)hexadecahydropyrrolo[2,1-c][1,4,7,10,13,16,19]heptaazacyclodocosine-1,5,8,11,14,17,20(2H)-heptaone

Base Information

Chemical Name:(3S,4R,7S,13S,16S,19S,24aR)-7,19-dibenzyl-13-isobutyl-3,16-dimethyl-4-(phenylthio)hexadecahydropyrrolo[2,1-c][1,4,7,10,13,16,19]heptaazacyclodocosine-1,5,8,11,14,17,20(2H)-heptaone
CAS No.:1569904-53-5
Molecular Formula:C₄₄H₅₅N₇O₇S
Molecular Weight:826.029
Hs Code.:

(3S,4R,7S,13S,16S,19S,24aR)-7,19-dibenzyl-13-isobutyl-3,16-dimethyl-4-(phenylthio)hexadecahydropyrrolo[2,1-c][1,4,7,10,13,16,19]heptaazacyclodocosine-1,5,8,11,14,17,20(2H)-heptaone

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Chemical Property of (3S,4R,7S,13S,16S,19S,24aR)-7,19-dibenzyl-13-isobutyl-3,16-dimethyl-4-(phenylthio)hexadecahydropyrrolo[2,1-c][1,4,7,10,13,16,19]heptaazacyclodocosine-1,5,8,11,14,17,20(2H)-heptaone

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Technology Process of (3S,4R,7S,13S,16S,19S,24aR)-7,19-dibenzyl-13-isobutyl-3,16-dimethyl-4-(phenylthio)hexadecahydropyrrolo[2,1-c][1,4,7,10,13,16,19]heptaazacyclodocosine-1,5,8,11,14,17,20(2H)-heptaone

There total 4 articles about (3S,4R,7S,13S,16S,19S,24aR)-7,19-dibenzyl-13-isobutyl-3,16-dimethyl-4-(phenylthio)hexadecahydropyrrolo[2,1-c][1,4,7,10,13,16,19]heptaazacyclodocosine-1,5,8,11,14,17,20(2H)-heptaone 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:

: 1569904-22-8
C₃₈H₄₉N₇O₇

: 108-98-5
thiophenol

: 1569904-53-5
(3S,4R,7S,13S,16S,19S,24aR)-7,19-dibenzyl-13-isobutyl-3,16-dimethyl-4-(phenylthio)hexadecahydropyrrolo[2,1-c][1,4,7,10,13,16,19]heptaazacyclodocosine-1,5,8,11,14,17,20(2H)-heptaone

: 1569904-54-6
(3R,6S,12S,15S,18S,23aR)-6,18-dibenzyl-12-isobutyl-15-methyl-3-((R)-1-(phenylthio)ethyl)hexadecahydro-1H-pyrrolo[1,2-a][1,4,7,10,13,16,19]heptaazacyclohenicosine-1,4,7,10,13,16,19-heptaone

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 12h; regioselective reaction;
DOI:10.1021/ja412256f

Reference yield:

: 1569903-75-8
C₁₈H₂₅N₃O₄*ClH

: 1569904-53-5
(3S,4R,7S,13S,16S,19S,24aR)-7,19-dibenzyl-13-isobutyl-3,16-dimethyl-4-(phenylthio)hexadecahydropyrrolo[2,1-c][1,4,7,10,13,16,19]heptaazacyclodocosine-1,5,8,11,14,17,20(2H)-heptaone

: 1569904-54-6
(3R,6S,12S,15S,18S,23aR)-6,18-dibenzyl-12-isobutyl-15-methyl-3-((R)-1-(phenylthio)ethyl)hexadecahydro-1H-pyrrolo[1,2-a][1,4,7,10,13,16,19]heptaazacyclohenicosine-1,4,7,10,13,16,19-heptaone

Guidance literature:: Multi-step reaction with 3 steps

1: (7-azabenzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / dimethyl sulfoxide / 20 °C / Inert atmosphere

2: (7-azabenzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / Inert atmosphere; Sealed tube

3: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 12 h / 20 °C

With N-ethyl-N,N-diisopropylamine; (7-azabenzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; In dimethyl sulfoxide; N,N-dimethyl-formamide;
DOI:10.1021/ja412256f

Reference yield:

: 1569903-90-7
C₃₉H₅₃N₇O₈

: 1569904-53-5
(3S,4R,7S,13S,16S,19S,24aR)-7,19-dibenzyl-13-isobutyl-3,16-dimethyl-4-(phenylthio)hexadecahydropyrrolo[2,1-c][1,4,7,10,13,16,19]heptaazacyclodocosine-1,5,8,11,14,17,20(2H)-heptaone

: 1569904-54-6
(3R,6S,12S,15S,18S,23aR)-6,18-dibenzyl-12-isobutyl-15-methyl-3-((R)-1-(phenylthio)ethyl)hexadecahydro-1H-pyrrolo[1,2-a][1,4,7,10,13,16,19]heptaazacyclohenicosine-1,4,7,10,13,16,19-heptaone

Guidance literature:: Multi-step reaction with 2 steps

1: (7-azabenzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / Inert atmosphere; Sealed tube

2: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 12 h / 20 °C

With N-ethyl-N,N-diisopropylamine; (7-azabenzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; In N,N-dimethyl-formamide;
DOI:10.1021/ja412256f