N-α-(β-L-valyl)-L-phenylalanyl-N^α-methyl-L-histidyl>-5(S)-amino-6-cyclohexyl-4(S)-hydroxy-2(S)-isopropylhexanoyl>-L-isoleucyl>(1-oxo-2-pyridyl)methylamine tris(trifluoroacetate)

Base Information

• Chemical Name: N-α-(β-L-valyl)-L-phenylalanyl-N^α-methyl-L-histidyl>-5(S)-amino-6-cyclohexyl-4(S)-hydroxy-2(S)-isopropylhexanoyl>-L-isoleucyl>(1-oxo-2-pyridyl)methylamine tris(trifluoroacetate)
• CAS No.: 130985-58-9
• Molecular Formula: 3C₂HF₃O₂*C₄₈H₇₃N₉O₇
• Molecular Weight: 1230.24

Synonyms:N-α-(β-L-valyl)-L-phenylalanyl-N^α-methyl-L-histidyl>-5(S)-amino-6-cyclohexyl-4(S)-hydroxy-2(S)-isopropylhexanoyl>-L-isoleucyl>(1-oxo-2-pyridyl)methylamine tris(trifluoroacetate)

Chemical Property of N-α-(β-L-valyl)-L-phenylalanyl-N^α-methyl-L-histidyl>-5(S)-amino-6-cyclohexyl-4(S)-hydroxy-2(S)-isopropylhexanoyl>-L-isoleucyl>(1-oxo-2-pyridyl)methylamine tris(trifluoroacetate)

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Technology Process of N-α-(β-L-valyl)-L-phenylalanyl-N^α-methyl-L-histidyl>-5(S)-amino-6-cyclohexyl-4(S)-hydroxy-2(S)-isopropylhexanoyl>-L-isoleucyl>(1-oxo-2-pyridyl)methylamine tris(trifluoroacetate)

There total 7 articles about N-α-(β-L-valyl)-L-phenylalanyl-N^α-methyl-L-histidyl>-5(S)-amino-6-cyclohexyl-4(S)-hydroxy-2(S)-isopropylhexanoyl>-L-isoleucyl>(1-oxo-2-pyridyl)methylamine tris(trifluoroacetate) 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: 87.0%

N-α--L-phenylalanyl>-Nα-methyl-L-histidyl>-5(S)-amino-6-cyclohexyl-4(S)-hydroxy-2(S)-isopropylhexanoyl>-L-isoleucyl>(1-oxo-2-pyridyl)methylamine (130985-46-5) + trifluoroacetic acid (76-05-1) → N-α-(β-L-valyl)-L-phenylalanyl-Nα-methyl-L-histidyl>-5(S)-amino-6-cyclohexyl-4(S)-hydroxy-2(S)-isopropylhexanoyl>-L-isoleucyl>(1-oxo-2-pyridyl)methylamine tris(trifluoroacetate) (130985-58-9)

Guidance literature:

In dichloromethane; for 1h;

DOI:10.1021/jm00106a026

Reference yield:

ethyl 3-methylbut-2-enoate (638-10-8) → N-α-(β-L-valyl)-L-phenylalanyl-Nα-methyl-L-histidyl>-5(S)-amino-6-cyclohexyl-4(S)-hydroxy-2(S)-isopropylhexanoyl>-L-isoleucyl>(1-oxo-2-pyridyl)methylamine tris(trifluoroacetate) (130985-58-9)

Guidance literature:

Multi-step reaction with 7 steps

1: 89 percent / NH₃(gas) / ethanol / 22 h / 80 °C

2: 81 percent / CH₂Cl₂ / 18 h

3: 82 percent / aq. KOH / tetrahydrofuran / 18 h

4: 100 percent / diisopropylethylamine, diethylphosphorocyanate / CH₂Cl₂ / 18 h

5: 80 percent / 1-hydroxybenzotriazole / methanol / 18 h

6: 74 percent / m-chloroperbenzoic acid / CH₂Cl₂ / 3 h / Ambient temperature

7: 87 percent / CH₂Cl₂ / 1 h

With potassium hydroxide; diethyl cyanophosphonate; ammonia; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; methanol; ethanol; dichloromethane;

DOI:10.1021/jm00106a026

Reference yield:

3-[(tert-butoxycarbonyl)amino]-3-methylbutanoic acid (129765-95-3) → N-α-(β-L-valyl)-L-phenylalanyl-Nα-methyl-L-histidyl>-5(S)-amino-6-cyclohexyl-4(S)-hydroxy-2(S)-isopropylhexanoyl>-L-isoleucyl>(1-oxo-2-pyridyl)methylamine tris(trifluoroacetate) (130985-58-9)

Guidance literature:

Multi-step reaction with 4 steps

1: 100 percent / diisopropylethylamine, diethylphosphorocyanate / CH₂Cl₂ / 18 h

2: 80 percent / 1-hydroxybenzotriazole / methanol / 18 h

3: 74 percent / m-chloroperbenzoic acid / CH₂Cl₂ / 3 h / Ambient temperature

4: 87 percent / CH₂Cl₂ / 1 h

With diethyl cyanophosphonate; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; 3-chloro-benzenecarboperoxoic acid; In methanol; dichloromethane;

DOI:10.1021/jm00106a026

upstream raw materials:

N-α--L-phenylalanyl>-N^α-methyl-L-histidyl>-5(S)-amino-6-cyclohexyl-4(S)-hydroxy-2(S)-isopropylhexanoyl>-L-isoleucyl>(1-oxo-2-pyridyl)methylamine

trifluoroacetic acid

ethyl 3-methylbut-2-enoate

3-[(tert-butoxycarbonyl)amino]-3-methylbutanoic acid

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