(S)-N-(4-aminomethyl-benzyl)-2-[(R)-3-(4-ethoxy-phenyl)-2-propionylamino-propionylamino]-3-phenyl-propionamide trifluoroacetate

Base Information

• Chemical Name: (S)-N-(4-aminomethyl-benzyl)-2-[(R)-3-(4-ethoxy-phenyl)-2-propionylamino-propionylamino]-3-phenyl-propionamide trifluoroacetate
• CAS No.: 1417693-97-0
• Molecular Formula: C₂HF₃O₂*C₃₁H₃₈N₄O₄
• Molecular Weight: 644.691
• Mol file: 1417693-97-0.mol

Synonyms:(S)-N-(4-aminomethyl-benzyl)-2-[(R)-3-(4-ethoxy-phenyl)-2-propionylamino-propionylamino]-3-phenyl-propionamide trifluoroacetate

Chemical Property of (S)-N-(4-aminomethyl-benzyl)-2-[(R)-3-(4-ethoxy-phenyl)-2-propionylamino-propionylamino]-3-phenyl-propionamide trifluoroacetate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (S)-N-(4-aminomethyl-benzyl)-2-[(R)-3-(4-ethoxy-phenyl)-2-propionylamino-propionylamino]-3-phenyl-propionamide trifluoroacetate

There total 8 articles about (S)-N-(4-aminomethyl-benzyl)-2-[(R)-3-(4-ethoxy-phenyl)-2-propionylamino-propionylamino]-3-phenyl-propionamide 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: 42.0%

[4-({(S)-2-[(R)-3-(4-ethoxy-phenyl)-2-propionylamino-propionylamino]-3-phenyl-propionylamino}-methyl)-benzyl]-carbamic acid tert-butyl ester (1417693-96-9) + trifluoroacetic acid (76-05-1) → (S)-N-(4-aminomethyl-benzyl)-2-[(R)-3-(4-ethoxy-phenyl)-2-propionylamino-propionylamino]-3-phenyl-propionamide trifluoroacetate (1417693-97-0)

Guidance literature:

at 20 ℃; for 1h;

Reference yield:

methyl (2S)-2-amino-3-phenylpropanoate hydrochloride (7524-50-7) → (S)-N-(4-aminomethyl-benzyl)-2-[(R)-3-(4-ethoxy-phenyl)-2-propionylamino-propionylamino]-3-phenyl-propionamide trifluoroacetate (1417693-97-0)

Guidance literature:

Multi-step reaction with 7 steps

1: benzotriazol-1-ol; triethylamine; 1,1'-carbonyldiimidazole / dichloromethane; N,N-dimethyl-formamide / 18 h / 0 - 20 °C

2: lithium hydroxide monohydrate / tetrahydrofuran; water / 18 h / 20 °C

3: benzotriazol-1-ol; triethylamine; 1,1'-carbonyldiimidazole / dichloromethane; N,N-dimethyl-formamide / 18 h / 0 - 20 °C

4: hydrogenchloride / 1,4-dioxane / 1 h / 20 °C

5: dichloromethane / 18 h / 0 - 20 °C

6: nickel(II) chloride hexahydrate; sodium tetrahydroborate / methanol / 18 h / 0 - 20 °C

7: 1 h / 20 °C

With hydrogenchloride; sodium tetrahydroborate; nickel(II) chloride hexahydrate; lithium hydroxide monohydrate; benzotriazol-1-ol; triethylamine; 1,1'-carbonyldiimidazole; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane; water; N,N-dimethyl-formamide;

Reference yield:

(R)-2-((tert-butoxycarbonyl)amino)-3-(4-ethoxyphenyl)propanoic acid (76757-92-1,247088-44-4) → (S)-N-(4-aminomethyl-benzyl)-2-[(R)-3-(4-ethoxy-phenyl)-2-propionylamino-propionylamino]-3-phenyl-propionamide trifluoroacetate (1417693-97-0)

Guidance literature:

Multi-step reaction with 7 steps

1: benzotriazol-1-ol; triethylamine; 1,1'-carbonyldiimidazole / dichloromethane; N,N-dimethyl-formamide / 18 h / 0 - 20 °C

2: lithium hydroxide monohydrate / tetrahydrofuran; water / 18 h / 20 °C

3: benzotriazol-1-ol; triethylamine; 1,1'-carbonyldiimidazole / dichloromethane; N,N-dimethyl-formamide / 18 h / 0 - 20 °C

4: hydrogenchloride / 1,4-dioxane / 1 h / 20 °C

5: dichloromethane / 18 h / 0 - 20 °C

6: nickel(II) chloride hexahydrate; sodium tetrahydroborate / methanol / 18 h / 0 - 20 °C

7: 1 h / 20 °C

With hydrogenchloride; sodium tetrahydroborate; nickel(II) chloride hexahydrate; lithium hydroxide monohydrate; benzotriazol-1-ol; triethylamine; 1,1'-carbonyldiimidazole; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane; water; N,N-dimethyl-formamide;

upstream raw materials:

methyl (2S)-2-amino-3-phenylpropanoate hydrochloride

(R)-2-((tert-butoxycarbonyl)amino)-3-(4-ethoxyphenyl)propanoic acid

[4-({(S)-2-[(R)-3-(4-ethoxy-phenyl)-2-propionylamino-propionylamino]-3-phenyl-propionylamino}-methyl)-benzyl]-carbamic acid tert-butyl ester

trifluoroacetic acid