[3(R)-(1H-Indol-3-ylmethyl)-3-methyl-2,5-dioxo-1,3-diazacyclotridec-13(S)-ylcarbonyl]-L-aspartyl-L-phenylalaninamide

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Chemical Name:[3(R)-(1H-Indol-3-ylmethyl)-3-methyl-2,5-dioxo-1,3-diazacyclotridec-13(S)-ylcarbonyl]-L-aspartyl-L-phenylalaninamide
CAS No.:187454-95-1
Molecular Formula:C₃₅H₄₄N₆O₇
Molecular Weight:660.77
Hs Code.:

Synonyms:

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Chemical Property of [3(R)-(1H-Indol-3-ylmethyl)-3-methyl-2,5-dioxo-1,3-diazacyclotridec-13(S)-ylcarbonyl]-L-aspartyl-L-phenylalaninamide

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Technology Process of [3(R)-(1H-Indol-3-ylmethyl)-3-methyl-2,5-dioxo-1,3-diazacyclotridec-13(S)-ylcarbonyl]-L-aspartyl-L-phenylalaninamide

There total 27 articles about [3(R)-(1H-Indol-3-ylmethyl)-3-methyl-2,5-dioxo-1,3-diazacyclotridec-13(S)-ylcarbonyl]-L-aspartyl-L-phenylalaninamide 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: 81.0%

: 187396-10-7
(S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{[(2R,5S)-2-(1H-indol-3-ylmethyl)-2-methyl-3,13-dioxo-1,4-diaza-cyclotridecane-5-carbonyl]-amino}-succinamic acid cyclohexyl ester

: 187454-95-1
(S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{[(2R,5S)-2-(1H-indol-3-ylmethyl)-2-methyl-3,13-dioxo-1,4-diaza-cyclotridecane-5-carbonyl]-amino}-succinamic acid

Guidance literature:: With hydrogen fluoride; methoxybenzene; at 0 ℃; for 1.25h;
DOI:10.1021/jm9603072

Reference yield:

: 17696-11-6
8-bromooctanoic acid

: 187454-95-1
(S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{[(2R,5S)-2-(1H-indol-3-ylmethyl)-2-methyl-3,13-dioxo-1,4-diaza-cyclotridecane-5-carbonyl]-amino}-succinamic acid

Guidance literature:: Multi-step reaction with 8 steps

1: 95 percent / H₂SO₄ / diethyl ether

2: 1.) LDA, HMPA, 2.) 10percent aq. citric acid / 1.) THF, -78 deg C, 2.) Et₂O, RT, 48 h

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

4: 100 percent / anisole / CH₂Cl₂ / 3 h / 0 - 20 °C

5: 29 percent / NaHCO₃, (benzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate / dimethylformamide / 5 h / Ambient temperature

6: 100 percent / 1 N aq. NaOH / 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: H₂ / 10percent Pd/C / methanol / Ambient temperature

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

Reference yield:

: 77383-17-6
8-bromo-octanoic acid tert-butyl ester

: 187454-95-1
(S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{[(2R,5S)-2-(1H-indol-3-ylmethyl)-2-methyl-3,13-dioxo-1,4-diaza-cyclotridecane-5-carbonyl]-amino}-succinamic acid

Guidance literature:: Multi-step reaction with 7 steps

1: 1.) LDA, HMPA, 2.) 10percent aq. citric acid / 1.) THF, -78 deg C, 2.) Et₂O, RT, 48 h

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

3: 100 percent / anisole / CH₂Cl₂ / 3 h / 0 - 20 °C

4: 29 percent / NaHCO₃, (benzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate / dimethylformamide / 5 h / Ambient temperature

5: 100 percent / 1 N aq. NaOH / methanol / Ambient temperature

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

7: H₂ / 10percent Pd/C / methanol / Ambient temperature

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