methyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(phenylmethyl)oxy]-carbonyl}amino)acetyl]-N-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-({2-[(phenylmethyl)oxy]phenyl}amino)ethyl]-D-alloisoleucinate

Base Information

• Chemical Name: methyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(phenylmethyl)oxy]-carbonyl}amino)acetyl]-N-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-({2-[(phenylmethyl)oxy]phenyl}amino)ethyl]-D-alloisoleucinate
• CAS No.: 872599-76-3
• Molecular Formula: C₄₈H₅₂N₄O₇
• Molecular Weight: 796.963
• Mol file: 872599-76-3.mol

Synonyms:methyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(phenylmethyl)oxy]-carbonyl}amino)acetyl]-N-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-({2-[(phenylmethyl)oxy]phenyl}amino)ethyl]-D-alloisoleucinate

Chemical Property of methyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(phenylmethyl)oxy]-carbonyl}amino)acetyl]-N-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-({2-[(phenylmethyl)oxy]phenyl}amino)ethyl]-D-alloisoleucinate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of methyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(phenylmethyl)oxy]-carbonyl}amino)acetyl]-N-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-({2-[(phenylmethyl)oxy]phenyl}amino)ethyl]-D-alloisoleucinate

There total 8 articles about methyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(phenylmethyl)oxy]-carbonyl}amino)acetyl]-N-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-({2-[(phenylmethyl)oxy]phenyl}amino)ethyl]-D-alloisoleucinate 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:

(2R)-2,3-dihydro-1H-inden-2-yl({[(phenylmethyl)oxy]carbonyl}amino)ethanoic acid (554448-74-7) + D-allo-isoleucine methyl ester hydrochloride (60667-85-8) + 1-benzyloxy-2-isocyanobenzene (86652-64-4) + 2,6-dimethylpyridine-3-carboxaldehyde (650141-20-1) → methyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(phenylmethyl)oxy]-carbonyl}amino)acetyl]-N-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-({2-[(phenylmethyl)oxy]phenyl}amino)ethyl]-D-alloisoleucinate (872599-76-3)

Guidance literature:

D-allo-isoleucine methyl ester hydrochloride; 2,6-dimethylpyridine-3-carboxaldehyde; With triethylamine; In methanol; 2,2,2-trifluoroethanol; at 20 ℃; for 20h; Inert atmosphere;

(2R)-2,3-dihydro-1H-inden-2-yl({[(phenylmethyl)oxy]carbonyl}amino)ethanoic acid; 1-benzyloxy-2-isocyanobenzene; In methanol; 2,2,2-trifluoroethanol; at 20 ℃; for 96h; Inert atmosphere;

DOI:10.1021/jm201287w

Reference yield:

(2R)-2,3-dihydro-1H-inden-2-yl({[(phenylmethyl)oxy]carbonyl}amino)ethanoic acid (554448-74-7) + methyl N-[(2,6-dimethyl-3-pyridinyl)methylidene]-D-alloisoleucine (1299957-27-9) + 1-benzyloxy-2-isocyanobenzene (86652-64-4) → methyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(phenylmethyl)oxy]-carbonyl}amino)acetyl]-N-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-({2-[(phenylmethyl)oxy]phenyl}amino)ethyl]-D-alloisoleucinate (872599-76-3)

Guidance literature:

In methanol; 2,2,2-trifluoroethanol; at 40 ℃;

Reference yield:

D-allo-isoleucine methyl ester hydrochloride (60667-85-8) → methyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(phenylmethyl)oxy]-carbonyl}amino)acetyl]-N-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-({2-[(phenylmethyl)oxy]phenyl}amino)ethyl]-D-alloisoleucinate (872599-76-3)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / ethyl acetate; water / 1 h / 20 °C

2: 2,2,2-trifluoroethanol; methanol / 40 °C

3: 2,2,2-trifluoroethanol; methanol / 40 °C

With potassium carbonate; In methanol; 2,2,2-trifluoroethanol; water; ethyl acetate;

upstream raw materials:

(2R)-2,3-dihydro-1H-inden-2-yl({[(phenylmethyl)oxy]carbonyl}amino)ethanoic acid

methyl N-[(2,6-dimethyl-3-pyridinyl)methylidene]-D-alloisoleucine

1-benzyloxy-2-isocyanobenzene

D-allo-isoleucine methyl ester hydrochloride

Downstream raw materials:

(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl]-6-[(1S)-1-methylpropyl]-2,5-piperazinedione benzenesulfonic acid