(S)-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-2-(tert-butoxycarbonyl)propanoic acid

Base Information

• Chemical Name: (S)-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-2-(tert-butoxycarbonyl)propanoic acid
• CAS No.: 1033805-27-4
• Molecular Formula: C30H30ClF3N6O5
• Molecular Weight: 647.054
• Mol file: 1033805-27-4.mol

Synonyms:(S)-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-2-(tert-butoxycarbonyl)propanoic acid;L-Phenylalanine, 4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-N-[(1,1-dimethylethoxy)carbonyl]-;(S)-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid;1033805-27-4

Chemical Property of (S)-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-2-(tert-butoxycarbonyl)propanoic acid

Chemical Property:

• PSA: 154.48000
• LogP: 7.04820

Purity/Quality:

97% ^*data from raw suppliers

(S)-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-2-((tert-butoxycarbonyl)amino)propanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (S)-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-2-(tert-butoxycarbonyl)propanoic acid

There total 3 articles about (S)-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-2-(tert-butoxycarbonyl)propanoic 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: 75.0%

(S)-3-[4-(2-amino-6-chloropyrimidin-4-yl)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanoic acid (1033804-86-2) + (R)-1-(4-chloro-2-(3-methyl-1H-pyrazole-1-yl)phenyl)-2,2,2-trifluoroethane-1-ol (1033805-26-3) + di-tert-butyl dicarbonate (24424-99-5) → (S)-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-2-(tert-butoxycarbonylamino)propanoic acid (1033805-27-4)

Guidance literature:

(S)-3-[4-(2-amino-6-chloropyrimidin-4-yl)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanoic acid; (R)-1-(4-chloro-2-(3-methyl-1H-pyrazole-1-yl)phenyl)-2,2,2-trifluoroethane-1-ol; With caesium carbonate; In 1,4-dioxane; at 100 ℃; for 19h;

di-tert-butyl dicarbonate; In 1,4-dioxane; water; at 20 ℃; for 2h;

With hydrogenchloride; In 1,4-dioxane; water; ethyl acetate; toluene; at 20 ℃; pH=4;

Reference yield: 75.0%

(R)-1-(4-chloro-2-(3-methyl-1H-pyrazole-1-yl)phenyl)-2,2,2-trifluoroethane-1-ol (1033805-26-3) + (S)-3-(4-(2-amino-6-chloropyrimidin-4-yl)phenyl)-2-(tert-butoxycarbonylamino)propanoic acid monochloride + di-tert-butyl dicarbonate (24424-99-5) → (S)-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-2-(tert-butoxycarbonylamino)propanoic acid (1033805-27-4)

Guidance literature:

(R)-1-(4-chloro-2-(3-methyl-1H-pyrazole-1-yl)phenyl)-2,2,2-trifluoroethane-1-ol; (S)-3-(4-(2-amino-6-chloropyrimidin-4-yl)phenyl)-2-(tert-butoxycarbonylamino)propanoic acid monochloride; With caesium carbonate; In 1,4-dioxane; at 90 - 100 ℃; for 19h;

di-tert-butyl dicarbonate; In 1,4-dioxane; at 20 ℃; for 2h;

With hydrogenchloride; In 1,4-dioxane; water; ethyl acetate; toluene; pH=4; Product distribution / selectivity;

Reference yield:

(S)-3-[4-(2-amino-6-chloropyrimidin-4-yl)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanoic acid (1033804-86-2) + (R)-1-(4-chloro-2-(3-methyl-1H-pyrazole-1-yl)phenyl)-2,2,2-trifluoroethane-1-ol (1033805-26-3) → (S)-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-2-(tert-butoxycarbonylamino)propanoic acid (1033805-27-4)

Guidance literature:

With caesium carbonate; In 1,4-dioxane; at 100 ℃; for 12 - 24h; Product distribution / selectivity;

upstream raw materials:

(S)-3-[4-(2-amino-6-chloropyrimidin-4-yl)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanoic acid

(R)-1-(4-chloro-2-(3-methyl-1H-pyrazole-1-yl)phenyl)-2,2,2-trifluoroethane-1-ol

di-tert-butyl dicarbonate

Downstream raw materials:

(S)-ethyl 3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-2-(tert-butoxycarbonylamino)propanoate

(S)-2-amino-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)-phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)propanoic acid