(S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{[(2R,5S)-2-(1H-indol-3-ylmethyl)-2-methyl-3,12-dioxo-1,4-diaza-cyclododecane-5-carbonyl]-amino}-succinamic acid cyclohexyl ester

Base Information

Chemical Name:(S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{[(2R,5S)-2-(1H-indol-3-ylmethyl)-2-methyl-3,12-dioxo-1,4-diaza-cyclododecane-5-carbonyl]-amino}-succinamic acid cyclohexyl ester
CAS No.:187396-11-8
Molecular Formula:C₄₀H₅₂N₆O₇
Molecular Weight:728.889
Hs Code.:

(S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{[(2R,5S)-2-(1H-indol-3-ylmethyl)-2-methyl-3,12-dioxo-1,4-diaza-cyclododecane-5-carbonyl]-amino}-succinamic acid cyclohexyl ester

Synonyms:(S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{[(2R,5S)-2-(1H-indol-3-ylmethyl)-2-methyl-3,12-dioxo-1,4-diaza-cyclododecane-5-carbonyl]-amino}-succinamic acid cyclohexyl ester

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Chemical Property of (S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{[(2R,5S)-2-(1H-indol-3-ylmethyl)-2-methyl-3,12-dioxo-1,4-diaza-cyclododecane-5-carbonyl]-amino}-succinamic acid cyclohexyl ester

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Technology Process of (S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{[(2R,5S)-2-(1H-indol-3-ylmethyl)-2-methyl-3,12-dioxo-1,4-diaza-cyclododecane-5-carbonyl]-amino}-succinamic acid cyclohexyl ester

There total 9 articles about (S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{[(2R,5S)-2-(1H-indol-3-ylmethyl)-2-methyl-3,12-dioxo-1,4-diaza-cyclododecane-5-carbonyl]-amino}-succinamic acid cyclohexyl ester 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: 30.0%

: (S)-8-[(R)-2-Amino-3-(1H-indol-3-yl)-2-methyl-propionylamino]-8-[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-cyclohexyloxycarbonyl-ethylcarbamoyl]-octanoic acid; compound with trifluoro-acetic acid

: 187396-11-8
(S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{[(2R,5S)-2-(1H-indol-3-ylmethyl)-2-methyl-3,12-dioxo-1,4-diaza-cyclododecane-5-carbonyl]-amino}-succinamic acid cyclohexyl ester

Guidance literature:: With sodium hydrogencarbonate; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 5.5h;
DOI:10.1021/jm9603072

Reference yield:

: 51100-47-1
7-bromoheptanoic acid t-butyl ester

: 187396-11-8
(S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{[(2R,5S)-2-(1H-indol-3-ylmethyl)-2-methyl-3,12-dioxo-1,4-diaza-cyclododecane-5-carbonyl]-amino}-succinamic acid cyclohexyl ester

Guidance literature:: Multi-step reaction with 9 steps

1: 1.) n-BuLi, 2.) HMPA / 1.) THF, hexane, -78 deg C, 1 h, 2.) THF, hexane, a) -55 deg C, b) RT, 16 h

2: 10percent aq. citric acid / tetrahydrofuran / 48 h / Ambient temperature

3: Et₃N / tetrahydrofuran / 2 h / Ambient temperature

4: 50 percent / 0.5 N aq. LiOH / tetrahydrofuran / 4 h / Ambient temperature

5: 1.) DIEA, (benzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate, 2.) DIEA / 1.) DMF, 0 deg C, 30 min, 2.) DMF, RT, overnight

6: 100 percent / H₂ / 10percent Pd/C / methanol / Ambient temperature

7: 1.) DIEA, (benzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate, 2.) DIEA / 1.) DMF, 0 deg C, 30 min, 2.) DMF, RT, overnight

8: 98 percent / anisole / CH₂Cl₂ / 3 h / 0 - 20 °C

9: 30 percent / NaHCO₃, (benzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate / dimethylformamide / 5.5 h / 0 - 20 °C

With N,N,N,N,N,N-hexamethylphosphoric triamide; lithium hydroxide; n-butyllithium; hydrogen; sodium hydrogencarbonate; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; methoxybenzene; triethylamine; N-ethyl-N,N-diisopropylamine; citric acid; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm9603072

Reference yield:

: 187395-95-5
(S)-2-Benzyloxycarbonylamino-nonanedioic acid 9-tert-butyl ester

: 187396-11-8
(S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{[(2R,5S)-2-(1H-indol-3-ylmethyl)-2-methyl-3,12-dioxo-1,4-diaza-cyclododecane-5-carbonyl]-amino}-succinamic acid cyclohexyl ester

Guidance literature:: Multi-step reaction with 5 steps

1: 1.) DIEA, (benzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate, 2.) DIEA / 1.) DMF, 0 deg C, 30 min, 2.) DMF, RT, overnight

2: 100 percent / H₂ / 10percent Pd/C / methanol / Ambient temperature

3: 1.) DIEA, (benzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate, 2.) DIEA / 1.) DMF, 0 deg C, 30 min, 2.) DMF, RT, overnight

4: 98 percent / anisole / CH₂Cl₂ / 3 h / 0 - 20 °C

5: 30 percent / NaHCO₃, (benzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate / dimethylformamide / 5.5 h / 0 - 20 °C

With hydrogen; sodium hydrogencarbonate; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; methoxybenzene; N-ethyl-N,N-diisopropylamine; palladium on activated charcoal; In methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm9603072