(S)-2-{(S)-2-[3-(2-tert-Butoxycarbonylamino-ethyl)-3-(2-phenylamino-ethyl)-ureido]-3-methyl-butyrylamino}-propionic acid methyl ester

Base Information

• Chemical Name: (S)-2-{(S)-2-[3-(2-tert-Butoxycarbonylamino-ethyl)-3-(2-phenylamino-ethyl)-ureido]-3-methyl-butyrylamino}-propionic acid methyl ester
• CAS No.: 416898-00-5
• Molecular Formula: C₂₅H₄₁N₅O₆
• Molecular Weight: 507.63
• Mol file: 416898-00-5.mol

Synonyms:

Chemical Property of (S)-2-{(S)-2-[3-(2-tert-Butoxycarbonylamino-ethyl)-3-(2-phenylamino-ethyl)-ureido]-3-methyl-butyrylamino}-propionic acid methyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (S)-2-{(S)-2-[3-(2-tert-Butoxycarbonylamino-ethyl)-3-(2-phenylamino-ethyl)-ureido]-3-methyl-butyrylamino}-propionic acid methyl ester

There total 1 articles about (S)-2-{(S)-2-[3-(2-tert-Butoxycarbonylamino-ethyl)-3-(2-phenylamino-ethyl)-ureido]-3-methyl-butyrylamino}-propionic acid methyl 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: 99.0%

valylalanine methyl ester isocyanate (172980-45-9) + [2-(2-Phenylamino-ethylamino)-ethyl]-carbamic acid tert-butyl ester (174497-02-0) → (S)-2-{(S)-2-[3-(2-tert-Butoxycarbonylamino-ethyl)-3-(2-phenylamino-ethyl)-ureido]-3-methyl-butyrylamino}-propionic acid methyl ester (416898-00-5)

Guidance literature:

In dichloromethane; for 1h;

DOI:10.1016/S0040-4020(01)01092-4

Reference yield: 75.0%

phenylalanylleucine methyl ester isocyanate (172980-46-0) + (S)-2-{(S)-2-[3-(2-tert-Butoxycarbonylamino-ethyl)-3-(2-phenylamino-ethyl)-ureido]-3-methyl-butyrylamino}-propionic acid methyl ester (416898-00-5) → (S)-2-{(S)-2-[3-(2-{1-(2-tert-Butoxycarbonylamino-ethyl)-3-[(S)-1-((S)-1-methoxycarbonyl-ethylcarbamoyl)-2-methyl-propyl]-ureido}-ethyl)-3-phenyl-ureido]-3-phenyl-propionylamino}-4-methyl-pentanoic acid methyl ester (416898-02-7)

Guidance literature:

In 1,2-dichloro-ethane; for 36h; Heating;

DOI:10.1016/S0040-4020(01)01092-4

Reference yield:

(S)-2-{(S)-2-[3-(2-tert-Butoxycarbonylamino-ethyl)-3-(2-phenylamino-ethyl)-ureido]-3-methyl-butyrylamino}-propionic acid methyl ester (416898-00-5) → (S)-2-{(S)-2-[3-(2-{1-(2-Amino-ethyl)-3-[(S)-1-((S)-1-methoxycarbonyl-ethylcarbamoyl)-2-methyl-propyl]-ureido}-ethyl)-3-phenyl-ureido]-3-phenyl-propionylamino}-4-methyl-pentanoic acid methyl ester (416898-11-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / 1,2-dichloro-ethane / 36 h / Heating

2: 100 percent / TFA / CH₂Cl₂ / 1.5 h

With trifluoroacetic acid; In dichloromethane; 1,2-dichloro-ethane;

DOI:10.1016/S0040-4020(01)01092-4

upstream raw materials:

valylalanine methyl ester isocyanate

[2-(2-Phenylamino-ethylamino)-ethyl]-carbamic acid tert-butyl ester

Downstream raw materials:

(S)-2-{(S)-2-[3-(2-{1-(2-tert-Butoxycarbonylamino-ethyl)-3-[(S)-1-((S)-1-methoxycarbonyl-ethylcarbamoyl)-2-methyl-propyl]-ureido}-ethyl)-3-phenyl-ureido]-3-phenyl-propionylamino}-4-methyl-pentanoic acid methyl ester

(S)-2-{(S)-2-[3-(2-{1-(2-Amino-ethyl)-3-[(S)-1-((S)-1-methoxycarbonyl-ethylcarbamoyl)-2-methyl-propyl]-ureido}-ethyl)-3-phenyl-ureido]-3-phenyl-propionylamino}-4-methyl-pentanoic acid methyl ester

(S)-2-{(S)-2-[3-(2-{1-[2-(2-Cyano-ethylamino)-ethyl]-3-[(S)-1-((S)-1-methoxycarbonyl-ethylcarbamoyl)-2-methyl-propyl]-ureido}-ethyl)-3-phenyl-ureido]-3-phenyl-propionylamino}-4-methyl-pentanoic acid methyl ester

(S)-2-{(S)-2-[3-(2-{1-[2-(2-Cyano-ethylamino)-ethyl]-3-[(S)-2-methyl-1-((S)-1-methylcarbamoyl-ethylcarbamoyl)-propyl]-ureido}-ethyl)-3-phenyl-ureido]-3-phenyl-propionylamino}-4-methyl-pentanoic acid methylamide