3-(3-{4-[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-Amino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-ethyl]-phenoxy}-phenyl)-propionic acid; compound with trifluoro-acetic acid

Base Information

Chemical Name:3-(3-{4-[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-Amino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-ethyl]-phenoxy}-phenyl)-propionic acid; compound with trifluoro-acetic acid
CAS No.:112196-77-7
Molecular Formula:C₂HF₃O₂*C₃₈H₄₉N₅O₈
Molecular Weight:817.86
Hs Code.:

3-(3-{4-[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-Amino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-ethyl]-phenoxy}-phenyl)-propionic acid; compound with trifluoro-acetic acid

Synonyms:3-(3-{4-[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-Amino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-ethyl]-phenoxy}-phenyl)-propionic acid; compound with trifluoro-acetic acid

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Chemical Property of 3-(3-{4-[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-Amino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-ethyl]-phenoxy}-phenyl)-propionic acid; compound with trifluoro-acetic acid

Chemical Property:

Purity/Quality:

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Technology Process of 3-(3-{4-[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-Amino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-ethyl]-phenoxy}-phenyl)-propionic acid; compound with trifluoro-acetic acid

There total 17 articles about 3-(3-{4-[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-Amino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-ethyl]-phenoxy}-phenyl)-propionic acid; compound with trifluoro-acetic acid 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:

: 51-67-2
tyrosamine

: 112196-77-7
3-(3-{4-[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-Amino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-ethyl]-phenoxy}-phenyl)-propionic acid; compound with trifluoro-acetic acid

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: CH₂Cl₂ / 2 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

: 112196-77-7
3-(3-{4-[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-Amino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-ethyl]-phenoxy}-phenyl)-propionic acid; compound with trifluoro-acetic acid

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: CH₂Cl₂ / 2 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:

: 125786-88-1
methyl 3-<3-(4-(2-(tert-butoxycarbonylmethylamino)ethyl)phenoxy)phenyl>propenoate

: 112196-77-7
3-(3-{4-[2-({(S)-2-[(S)-2-{[(S)-2-((R)-2-Amino-propionylamino)-propionyl]-methyl-amino}-3-(4-methoxy-phenyl)-propionylamino]-propionyl}-methyl-amino)-ethyl]-phenoxy}-phenyl)-propionic acid; compound with trifluoro-acetic acid

Guidance literature:: Multi-step reaction with 5 steps

1: 98 percent / H₂ / 10percent Pd/C / methanol / 12 h / 25 °C / 1551.4 Torr

2: 94 percent / CF₃COOH / CH₂Cl₂ / 1.5 h / 25 °C

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

4: 82 percent / LiOH / tetrahydrofuran; methanol; H₂O / 6 h / 35 °C

5: CH₂Cl₂ / 2 h / 25 °C

With lithium hydroxide; hydrogen; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; trifluoroacetic acid; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; water;
DOI:10.1021/jo00238a005