3-(3-{4-[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-tert-Butoxycarbonylamino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-ethyl]-phenoxy}-phenyl)-propionic acid pentafluorophenyl ester

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Chemical Name:3-(3-{4-[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-tert-Butoxycarbonylamino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-ethyl]-phenoxy}-phenyl)-propionic acid pentafluorophenyl ester
CAS No.:112196-78-8
Molecular Formula:C₄₉H₅₆F₅N₅O₁₀
Molecular Weight:970.003
Hs Code.:

3-(3-{4-[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-tert-Butoxycarbonylamino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-ethyl]-phenoxy}-phenyl)-propionic acid pentafluorophenyl ester

Synonyms:3-(3-{4-[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-tert-Butoxycarbonylamino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-ethyl]-phenoxy}-phenyl)-propionic acid pentafluorophenyl ester

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Chemical Property of 3-(3-{4-[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-tert-Butoxycarbonylamino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-ethyl]-phenoxy}-phenyl)-propionic acid pentafluorophenyl ester

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Technology Process of 3-(3-{4-[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-tert-Butoxycarbonylamino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-ethyl]-phenoxy}-phenyl)-propionic acid pentafluorophenyl ester

There total 18 articles about 3-(3-{4-[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-tert-Butoxycarbonylamino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-ethyl]-phenoxy}-phenyl)-propionic acid pentafluorophenyl 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: 76.0%

: 771-61-9
2,3,4,5,6-pentafluorophenol

: 112196-75-5
3-(3-{4-[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-tert-Butoxycarbonylamino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-ethyl]-phenoxy}-phenyl)-propionic acid

: 112196-78-8
3-(3-{4-[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-tert-Butoxycarbonylamino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-ethyl]-phenoxy}-phenyl)-propionic acid pentafluorophenyl ester

Guidance literature:: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 25 ℃; for 24h;
DOI:10.1021/jo00238a005

Reference yield:

: 51-67-2
tyrosamine

: 112196-78-8
3-(3-{4-[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-tert-Butoxycarbonylamino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-ethyl]-phenoxy}-phenyl)-propionic acid pentafluorophenyl ester

Guidance literature:: Multi-step reaction with 10 steps

1: 97 percent / tetrahydrofuran / 2.5 h / 25 °C

2: 98 percent / imidazole / dimethylformamide / 24 h / 25 °C

3: NaH / tetrahydrofuran; dimethylformamide / 23 h / Heating

4: 89 percent / AcOH / tetrahydrofuran; H₂O / 72 h / 25 °C

5: 1.) NaH, CuBr, / 1.) pyridine, 25 deg C, 0,5 h, 2.) reflux, 12 h

6: 98 percent / H₂ / 10percent Pd/C / methanol / 12 h / 25 °C / 1551.4 Torr

7: 94 percent / CF₃COOH / CH₂Cl₂ / 1.5 h / 25 °C

8: 65 percent / 1-<3-(dimethylamino)propyl>-3-ethylcarbodiimide hydrochloride (EDCI) / CH₂Cl₂ / 24 h / 25 °C

9: 82 percent / LiOH / tetrahydrofuran; methanol; H₂O / 6 h / 35 °C

10: 76 percent / 1-<3-(dimethylamino)propyl>-3-ethylcarbodiimide hydrochloride (EDCI) / CH₂Cl₂ / 24 h / 25 °C

With 1H-imidazole; lithium hydroxide; hydrogen; sodium hydride; acetic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; trifluoroacetic acid; copper(I) bromide; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1021/jo00238a005

Reference yield:

: 64318-28-1
N-t-butoxycarbonyl-tyramine

: 112196-78-8
3-(3-{4-[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-tert-Butoxycarbonylamino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-ethyl]-phenoxy}-phenyl)-propionic acid pentafluorophenyl ester

Guidance literature:: Multi-step reaction with 9 steps

1: 98 percent / imidazole / dimethylformamide / 24 h / 25 °C

2: NaH / tetrahydrofuran; dimethylformamide / 23 h / Heating

3: 89 percent / AcOH / tetrahydrofuran; H₂O / 72 h / 25 °C

4: 1.) NaH, CuBr, / 1.) pyridine, 25 deg C, 0,5 h, 2.) reflux, 12 h

5: 98 percent / H₂ / 10percent Pd/C / methanol / 12 h / 25 °C / 1551.4 Torr

6: 94 percent / CF₃COOH / CH₂Cl₂ / 1.5 h / 25 °C

7: 65 percent / 1-<3-(dimethylamino)propyl>-3-ethylcarbodiimide hydrochloride (EDCI) / CH₂Cl₂ / 24 h / 25 °C

8: 82 percent / LiOH / tetrahydrofuran; methanol; H₂O / 6 h / 35 °C

9: 76 percent / 1-<3-(dimethylamino)propyl>-3-ethylcarbodiimide hydrochloride (EDCI) / CH₂Cl₂ / 24 h / 25 °C

With 1H-imidazole; lithium hydroxide; hydrogen; sodium hydride; acetic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; trifluoroacetic acid; copper(I) bromide; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1021/jo00238a005