(3S,9S,12S,13S)-9-benzyl-3-isobutyl-13-methyl-12-((4-methyl-2-oxo-2H-chromen-7-yl)thio)-1,4,7,10-tetraazacyclotridecane-2,5,8,11-tetraone

Base Information

Chemical Name:(3S,9S,12S,13S)-9-benzyl-3-isobutyl-13-methyl-12-((4-methyl-2-oxo-2H-chromen-7-yl)thio)-1,4,7,10-tetraazacyclotridecane-2,5,8,11-tetraone
CAS No.:1378482-69-9
Molecular Formula:C₃₁H₃₆N₄O₆S
Molecular Weight:592.716
Hs Code.:

Synonyms:(3S,9S,12S,13S)-9-benzyl-3-isobutyl-13-methyl-12-((4-methyl-2-oxo-2H-chromen-7-yl)thio)-1,4,7,10-tetraazacyclotridecane-2,5,8,11-tetraone

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Chemical Property of (3S,9S,12S,13S)-9-benzyl-3-isobutyl-13-methyl-12-((4-methyl-2-oxo-2H-chromen-7-yl)thio)-1,4,7,10-tetraazacyclotridecane-2,5,8,11-tetraone

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Technology Process of (3S,9S,12S,13S)-9-benzyl-3-isobutyl-13-methyl-12-((4-methyl-2-oxo-2H-chromen-7-yl)thio)-1,4,7,10-tetraazacyclotridecane-2,5,8,11-tetraone

There total 6 articles about (3S,9S,12S,13S)-9-benzyl-3-isobutyl-13-methyl-12-((4-methyl-2-oxo-2H-chromen-7-yl)thio)-1,4,7,10-tetraazacyclotridecane-2,5,8,11-tetraone 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: 41.0%

: 1351234-64-4
(3S,9S,12S,13S)-9-benzyl-3-isobutyl-13-methyl-1,4,7,10-tetraazabicyclo[10.1.0]tridecane-2,5,8,11-tetraone

: 137215-27-1
7-mercapto-4-methyl-2H-chromen-2-one

: 1378482-69-9
(3S,9S,12S,13S)-9-benzyl-3-isobutyl-13-methyl-12-((4-methyl-2-oxo-2H-chromen-7-yl)thio)-1,4,7,10-tetraazacyclotridecane-2,5,8,11-tetraone

Guidance literature:: With triethylamine; In dimethyl sulfoxide; at 23 ℃; for 14h; Inert atmosphere;
DOI:10.1021/ol301178r

Reference yield:

: 13734-34-4
N-tert-butoxycarbonyl-L-phenylalanine

: 1378482-69-9
(3S,9S,12S,13S)-9-benzyl-3-isobutyl-13-methyl-12-((4-methyl-2-oxo-2H-chromen-7-yl)thio)-1,4,7,10-tetraazacyclotridecane-2,5,8,11-tetraone

Guidance literature:: Multi-step reaction with 8 steps

1.1: PyBOP; N-ethyl-N,N-diisopropylamine / chloroform / 2 h / 23 °C / Inert atmosphere

2.1: dichloromethane / -10 - 23 °C / Inert atmosphere

3.1: PyBOP; N-ethyl-N,N-diisopropylamine / chloroform / 13 h / 23 °C / Inert atmosphere

4.1: triethylsilane; trifluoroacetic acid / dichloromethane / 0.5 h / -10 °C / Inert atmosphere

4.2: 0.33 h / 0 - 23 °C / Inert atmosphere

5.1: PyBOP; N-ethyl-N,N-diisopropylamine / chloroform / 13 h / 23 °C / Inert atmosphere

6.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; BARBITURIC ACID / dichloromethane / 1 h / Inert atmosphere

7.1: 1-hydroxy-7-aza-benzotriazole; N-ethyl-N,N-diisopropylamine; HATU / dimethyl sulfoxide; N,N-dimethyl-formamide / 1 h / Inert atmosphere; Sonication

8.1: triethylamine / dimethyl sulfoxide / 14 h / 23 °C / Inert atmosphere

With triethylsilane; tetrakis(triphenylphosphine) palladium⁽⁰⁾; BARBITURIC ACID; 1-hydroxy-7-aza-benzotriazole; PyBOP; triethylamine; N-ethyl-N,N-diisopropylamine; HATU; trifluoroacetic acid; In dichloromethane; chloroform; dimethyl sulfoxide; N,N-dimethyl-formamide;
DOI:10.1021/ol301178r

Reference yield:

: 98204-51-4
(S)-2-[{(allyloxy)carbonyl}amino]-4-methylpentanoic acid

: 1378482-69-9
(3S,9S,12S,13S)-9-benzyl-3-isobutyl-13-methyl-12-((4-methyl-2-oxo-2H-chromen-7-yl)thio)-1,4,7,10-tetraazacyclotridecane-2,5,8,11-tetraone

Guidance literature:: Multi-step reaction with 4 steps

1: PyBOP; N-ethyl-N,N-diisopropylamine / chloroform / 13 h / 23 °C / Inert atmosphere

2: tetrakis(triphenylphosphine) palladium⁽⁰⁾; BARBITURIC ACID / dichloromethane / 1 h / Inert atmosphere

3: 1-hydroxy-7-aza-benzotriazole; N-ethyl-N,N-diisopropylamine; HATU / dimethyl sulfoxide; N,N-dimethyl-formamide / 1 h / Inert atmosphere; Sonication

4: triethylamine / dimethyl sulfoxide / 14 h / 23 °C / Inert atmosphere

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; BARBITURIC ACID; 1-hydroxy-7-aza-benzotriazole; PyBOP; triethylamine; N-ethyl-N,N-diisopropylamine; HATU; In dichloromethane; chloroform; dimethyl sulfoxide; N,N-dimethyl-formamide;
DOI:10.1021/ol301178r