methyl (3S,6S,9S,Z)-3-(((benzyloxy)carbonyl)amino)-6-isobutyl-4,7,12-trioxo-1¹H-5,8,13-triaza-1(4,1)-triazolacyclohexadecaphane-9-carboxylate

Base Information

• Chemical Name: methyl (3S,6S,9S,Z)-3-(((benzyloxy)carbonyl)amino)-6-isobutyl-4,7,12-trioxo-1¹H-5,8,13-triaza-1(4,1)-triazolacyclohexadecaphane-9-carboxylate
• CAS No.: 1443654-65-6
• Molecular Formula: C₂₈H₃₉N₇O₇
• Molecular Weight: 585.66

Synonyms:methyl (3S,6S,9S,Z)-3-(((benzyloxy)carbonyl)amino)-6-isobutyl-4,7,12-trioxo-1¹H-5,8,13-triaza-1(4,1)-triazolacyclohexadecaphane-9-carboxylate

Chemical Property of methyl (3S,6S,9S,Z)-3-(((benzyloxy)carbonyl)amino)-6-isobutyl-4,7,12-trioxo-1¹H-5,8,13-triaza-1(4,1)-triazolacyclohexadecaphane-9-carboxylate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of methyl (3S,6S,9S,Z)-3-(((benzyloxy)carbonyl)amino)-6-isobutyl-4,7,12-trioxo-1¹H-5,8,13-triaza-1(4,1)-triazolacyclohexadecaphane-9-carboxylate

There total 6 articles about methyl (3S,6S,9S,Z)-3-(((benzyloxy)carbonyl)amino)-6-isobutyl-4,7,12-trioxo-1¹H-5,8,13-triaza-1(4,1)-triazolacyclohexadecaphane-9-carboxylate 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: 45.0%

methyl 11-(3-((3-azidopropyl)amino)-3-oxopropyl)-8-isobutyl-3,6,9-trioxo-1-phenyl-5-(prop-2-yn-1-yl)-2-oxa-4,7,10-triazadodecan-12-oate (1443654-64-5) → methyl (3S,6S,9S,Z)-3-(((benzyloxy)carbonyl)amino)-6-isobutyl-4,7,12-trioxo-11H-5,8,13-triaza-1(4,1)-triazolacyclohexadecaphane-9-carboxylate (1443654-65-6)

Guidance literature:

methyl 11-(3-((3-azidopropyl)amino)-3-oxopropyl)-8-isobutyl-3,6,9-trioxo-1-phenyl-5-(prop-2-yn-1-yl)-2-oxa-4,7,10-triazadodecan-12-oate; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 20 ℃; for 0.25h; Inert atmosphere;

With copper(I) bromide; In dichloromethane; at 20 ℃; for 12h;

Reference yield:

1-((1-methoxy-4-methyl-1-oxopentan-2-yl)amino)-1-oxopent-4-yn-2-aminium chloride (1443654-61-2) → methyl (3S,6S,9S,Z)-3-(((benzyloxy)carbonyl)amino)-6-isobutyl-4,7,12-trioxo-11H-5,8,13-triaza-1(4,1)-triazolacyclohexadecaphane-9-carboxylate (1443654-65-6)

Guidance literature:

Multi-step reaction with 4 steps

1: triethylamine / dichloromethane

2: lithium hydroxide; water / tetrahydrofuran

3: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide

4: copper(I) bromide; 1,8-diazabicyclo[5.4.0]undec-7-ene / dichloromethane

With water; benzotriazol-1-ol; 1,8-diazabicyclo[5.4.0]undec-7-ene; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; copper(I) bromide; lithium hydroxide; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2013.05.021

Reference yield:

methyl (S)-2-((S)-2-(((benzyloxy)carbonyl)amino)pent-4-ynamido)-4-methylpentanoate (1417159-39-7) → methyl (3S,6S,9S,Z)-3-(((benzyloxy)carbonyl)amino)-6-isobutyl-4,7,12-trioxo-11H-5,8,13-triaza-1(4,1)-triazolacyclohexadecaphane-9-carboxylate (1443654-65-6)

Guidance literature:

Multi-step reaction with 3 steps

1: lithium hydroxide; water / tetrahydrofuran

2: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide

3: copper(I) bromide; 1,8-diazabicyclo[5.4.0]undec-7-ene / dichloromethane

With water; benzotriazol-1-ol; 1,8-diazabicyclo[5.4.0]undec-7-ene; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; copper(I) bromide; lithium hydroxide; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2013.05.021

upstream raw materials:

(S)-Leu-OMe

1-((1-methoxy-4-methyl-1-oxopentan-2-yl)amino)-1-oxopent-4-yn-2-aminium chloride

methyl (S)-2-((S)-2-(((benzyloxy)carbonyl)amino)pent-4-ynamido)-4-methylpentanoate

N-tert-butoxycarbonylglutamic acid methyl ester

Downstream raw materials:

benzyl ((3S,6S,9S,Z)-9-(hydroxymethyl)-6-isobutyl-4,7,12-trioxo-1¹H-5,8,13-triaza-1(4,1)-triazolacyclohexadecaphane-3-yl)carbamate

benzyl ((3S,6S,9S,Z)-9-formyl-6-isobutyl-4,7,12-trioxo-1¹H-5,8,13-triaza-1(4,1)-triazolacyclohexadecaphane-3-yl)carbamate

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