S-(5-((3S,6R,9S,14aR)-9-((S)-sec-butyl)-6-(4-methoxybenzyl)-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl)pentyl)ethanethioate

Base Information

Chemical Name:S-(5-((3S,6R,9S,14aR)-9-((S)-sec-butyl)-6-(4-methoxybenzyl)-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl)pentyl)ethanethioate
CAS No.:591772-75-7
Molecular Formula:C₃₀H₄₄N₄O₆S
Molecular Weight:588.769
Hs Code.:

S-(5-((3S,6R,9S,14aR)-9-((S)-sec-butyl)-6-(4-methoxybenzyl)-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl)pentyl)ethanethioate

Synonyms:S-(5-((3S,6R,9S,14aR)-9-((S)-sec-butyl)-6-(4-methoxybenzyl)-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl)pentyl)ethanethioate

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Chemical Property of S-(5-((3S,6R,9S,14aR)-9-((S)-sec-butyl)-6-(4-methoxybenzyl)-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl)pentyl)ethanethioate

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Technology Process of S-(5-((3S,6R,9S,14aR)-9-((S)-sec-butyl)-6-(4-methoxybenzyl)-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl)pentyl)ethanethioate

There total 5 articles about S-(5-((3S,6R,9S,14aR)-9-((S)-sec-butyl)-6-(4-methoxybenzyl)-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl)pentyl)ethanethioate 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: 89.0%

: 10387-40-3
potassium thioacetate

: 591772-67-7
cyclo(-L-Ab₇-D-Tyr(Me)-L-Ile-D-Pro-)

: 591772-75-7
S-(5-((3S,6R,9S,14aR)-9-((S)-sec-butyl)-6-(4-methoxybenzyl)-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl)pentyl)ethanethioate

Guidance literature:: In N,N-dimethyl-formamide; for 3h;
DOI:10.1021/ol036098e

Reference yield: 87.0%

: (3S,6R,9S,14aR)-9-((S)-sec-butyl)-6-(4-methoxybenzyl)-3-(pent-4-en-1-yl)decahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10-tetraone

: 507-09-5
tiolacetic acid

: 591772-75-7
S-(5-((3S,6R,9S,14aR)-9-((S)-sec-butyl)-6-(4-methoxybenzyl)-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl)pentyl)ethanethioate

Guidance literature:: With Bromotrichloromethane; bismuth(III) oxide; In N,N-dimethyl-formamide; at 20 ℃; for 12h; Irradiation; Green chemistry;
DOI:10.1021/acs.orglett.5b03184

Reference yield:

: 591772-49-5
Boc-L-Ab₇-D-Tyr(Me)-L-Ile-D-Pro-OBzl

: 591772-75-7
S-(5-((3S,6R,9S,14aR)-9-((S)-sec-butyl)-6-(4-methoxybenzyl)-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl)pentyl)ethanethioate

Guidance literature:: Multi-step reaction with 4 steps

1: 100 percent / H₂ / Pd/C / methanol

2: 0.5 h / 0 °C

3: 64 percent / HATU; diisopropylethylamine / dimethylformamide / 20 °C

4: 89 percent / dimethylformamide / 3 h

With hydrogen; N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide;
DOI:10.1021/ol036098e