(12R,15S,18S,21S)-18-(4-Methoxy-benzyl)-12,15,17,21,23-pentamethyl-2-oxa-11,14,17,20,23-pentaaza-tricyclo[24.2.2.1^3,7]hentriaconta-1⁽²⁹⁾,3⁽³¹⁾,4,6,26⁽³⁰⁾,27-hexaene-10,13,16,19,22-pentaone

Base Information

• Chemical Name: (12R,15S,18S,21S)-18-(4-Methoxy-benzyl)-12,15,17,21,23-pentamethyl-2-oxa-11,14,17,20,23-pentaaza-tricyclo[24.2.2.1^3,7]hentriaconta-1⁽²⁹⁾,3⁽³¹⁾,4,6,26⁽³⁰⁾,27-hexaene-10,13,16,19,22-pentaone
• CAS No.: 112196-47-1
• Molecular Formula: C₃₈H₄₇N₅O₇
• Molecular Weight: 685.82

Synonyms:(12R,15S,18S,21S)-18-(4-Methoxy-benzyl)-12,15,17,21,23-pentamethyl-2-oxa-11,14,17,20,23-pentaaza-tricyclo[24.2.2.1^3,7]hentriaconta-1⁽²⁹⁾,3⁽³¹⁾,4,6,26⁽³⁰⁾,27-hexaene-10,13,16,19,22-pentaone

Chemical Property of (12R,15S,18S,21S)-18-(4-Methoxy-benzyl)-12,15,17,21,23-pentamethyl-2-oxa-11,14,17,20,23-pentaaza-tricyclo[24.2.2.1^3,7]hentriaconta-1⁽²⁹⁾,3⁽³¹⁾,4,6,26⁽³⁰⁾,27-hexaene-10,13,16,19,22-pentaone

Chemical Property:

Purity/Quality:

Safty Information:

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Useful:

Technology Process of (12R,15S,18S,21S)-18-(4-Methoxy-benzyl)-12,15,17,21,23-pentamethyl-2-oxa-11,14,17,20,23-pentaaza-tricyclo[24.2.2.1^3,7]hentriaconta-1⁽²⁹⁾,3⁽³¹⁾,4,6,26⁽³⁰⁾,27-hexaene-10,13,16,19,22-pentaone

There total 20 articles about (12R,15S,18S,21S)-18-(4-Methoxy-benzyl)-12,15,17,21,23-pentamethyl-2-oxa-11,14,17,20,23-pentaaza-tricyclo[24.2.2.1^3,7]hentriaconta-1⁽²⁹⁾,3⁽³¹⁾,4,6,26⁽³⁰⁾,27-hexaene-10,13,16,19,22-pentaone 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: 61.0%

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 (112196-77-7) → (12R,15S,18S,21S)-18-(4-Methoxy-benzyl)-12,15,17,21,23-pentamethyl-2-oxa-11,14,17,20,23-pentaaza-tricyclo[24.2.2.13,7]hentriaconta-1(29),3(31),4,6,26(30),27-hexaene-10,13,16,19,22-pentaone (112196-47-1)

Guidance literature:

With diphenyl phosphoryl azide; sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 0 ℃; for 72h;

DOI:10.1021/jo00238a005

Reference yield: 49.0%

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 pentafluorophenyl ester; compound with trifluoro-acetic acid (112219-54-2) → (12R,15S,18S,21S)-18-(4-Methoxy-benzyl)-12,15,17,21,23-pentamethyl-2-oxa-11,14,17,20,23-pentaaza-tricyclo[24.2.2.13,7]hentriaconta-1(29),3(31),4,6,26(30),27-hexaene-10,13,16,19,22-pentaone (112196-47-1)

Guidance literature:

With pyridine; In N,N-dimethyl-formamide; at 90 ℃; for 5h;

DOI:10.1021/jo00238a005

Reference yield:

tyrosamine (51-67-2) → (12R,15S,18S,21S)-18-(4-Methoxy-benzyl)-12,15,17,21,23-pentamethyl-2-oxa-11,14,17,20,23-pentaaza-tricyclo[24.2.2.13,7]hentriaconta-1(29),3(31),4,6,26(30),27-hexaene-10,13,16,19,22-pentaone (112196-47-1)

Guidance literature:

Multi-step reaction with 12 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

11: CH₂Cl₂ / 2 h / 25 °C

12: 49 percent / pyridine / dimethylformamide / 5 h / 90 °C

With pyridine; 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

upstream raw materials:

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 pentafluorophenyl ester; compound with trifluoro-acetic acid

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

tyrosamine

N-t-butoxycarbonyl-tyramine

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