(E)-(S)-4-({(S)-2-[(S)-3-(3-Chloro-phenyl)-3-methyl-2-methylamino-butyrylamino]-3,3-dimethyl-butyryl}-methyl-amino)-2,5-dimethyl-hex-2-enoic acid

Base Information

• Chemical Name: (E)-(S)-4-({(S)-2-[(S)-3-(3-Chloro-phenyl)-3-methyl-2-methylamino-butyrylamino]-3,3-dimethyl-butyryl}-methyl-amino)-2,5-dimethyl-hex-2-enoic acid
• CAS No.: 676631-65-5
• Molecular Formula: C₂₇H₄₂ClN₃O₄
• Molecular Weight: 508.101
• Mol file: 676631-65-5.mol

Synonyms:

Chemical Property of (E)-(S)-4-({(S)-2-[(S)-3-(3-Chloro-phenyl)-3-methyl-2-methylamino-butyrylamino]-3,3-dimethyl-butyryl}-methyl-amino)-2,5-dimethyl-hex-2-enoic acid

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (E)-(S)-4-({(S)-2-[(S)-3-(3-Chloro-phenyl)-3-methyl-2-methylamino-butyrylamino]-3,3-dimethyl-butyryl}-methyl-amino)-2,5-dimethyl-hex-2-enoic acid

There total 4 articles about (E)-(S)-4-({(S)-2-[(S)-3-(3-Chloro-phenyl)-3-methyl-2-methylamino-butyrylamino]-3,3-dimethyl-butyryl}-methyl-amino)-2,5-dimethyl-hex-2-enoic 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:

(E)-(S)-4-({(S)-2-[(S)-3-(3-Chloro-phenyl)-3-methyl-2-methylamino-butyrylamino]-3,3-dimethyl-butyryl}-methyl-amino)-2,5-dimethyl-hex-2-enoic acid ethyl ester (676631-63-3) → (E)-(S)-4-({(S)-2-[(S)-3-(3-Chloro-phenyl)-3-methyl-2-methylamino-butyrylamino]-3,3-dimethyl-butyryl}-methyl-amino)-2,5-dimethyl-hex-2-enoic acid (676631-65-5)

Guidance literature:

With lithium hydroxide; In methanol; at 20 ℃; for 15h;

DOI:10.1016/j.bmcl.2004.08.024

Reference yield:

3-(3-chloro-phenyl)-3-methyl-2-oxo-butyric acid (160785-01-3) → (E)-(S)-4-({(S)-2-[(S)-3-(3-Chloro-phenyl)-3-methyl-2-methylamino-butyrylamino]-3,3-dimethyl-butyryl}-methyl-amino)-2,5-dimethyl-hex-2-enoic acid (676631-65-5)

Guidance literature:

Multi-step reaction with 4 steps

1.1: tetrahydrofuran / 55 °C

2.1: BH₃*pyridine / 4 h / 60 °C

3.1: hydroxybenzotriazole; 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide*HCl; N-methylmorpholine / dimethylformamide / 0 - 20 °C

3.2: dimethylformamide / 20 °C

4.1: aq. LiOH / methanol / 15 h / 20 °C

With 4-methyl-morpholine; lithium hydroxide; borane pyridine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2004.08.024

Reference yield:

3-(3-chloro-phenyl)-3-methyl-2-methylamino-butyric acid (676626-71-4) → (E)-(S)-4-({(S)-2-[(S)-3-(3-Chloro-phenyl)-3-methyl-2-methylamino-butyrylamino]-3,3-dimethyl-butyryl}-methyl-amino)-2,5-dimethyl-hex-2-enoic acid (676631-65-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydroxybenzotriazole; 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide*HCl; N-methylmorpholine / dimethylformamide / 0 - 20 °C

1.2: dimethylformamide / 20 °C

2.1: aq. LiOH / methanol / 15 h / 20 °C

With 4-methyl-morpholine; lithium hydroxide; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In methanol; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2004.08.024

upstream raw materials:

(E)-(S)-4-({(S)-2-[(S)-3-(3-Chloro-phenyl)-3-methyl-2-methylamino-butyrylamino]-3,3-dimethyl-butyryl}-methyl-amino)-2,5-dimethyl-hex-2-enoic acid ethyl ester

3-(3-chloro-phenyl)-3-methyl-2-oxo-butyric acid

3-(3-chloro-phenyl)-3-methyl-2-methylamino-butyric acid