2-benzyl-N1-[1-{[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino}-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N4-(2-hydroxyethyl)-N4-methylbutanediamide

Base Information

Chemical Name:2-benzyl-N1-[1-{[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino}-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N4-(2-hydroxyethyl)-N4-methylbutanediamide
CAS No.:122224-80-0
Molecular Formula:C₃₄H₅₀N₆O₇
Molecular Weight:654.807
Hs Code.:
DSSTox Substance ID:DTXSID20879836

2-benzyl-N1-[1-{[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino}-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N4-(2-hydroxyethyl)-N4-methylbutanediamide

Synonyms:DTXSID20879836;122224-80-0;2-benzyl-N1-[1-{[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino}-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N4-(2-hydroxyethyl)-N4-methylbutanediamide

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Chemical Property of 2-benzyl-N1-[1-{[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino}-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N4-(2-hydroxyethyl)-N4-methylbutanediamide

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:17
Exact Mass:654.37409796
Heavy Atom Count:47
Complexity:1020

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCN1CC(OC1=O)C(C(CC2CCCCC2)NC(=O)C(CC3=CN=CN3)NC(=O)C(CC4=CC=CC=C4)CC(=O)N(C)CCO)O

Technology Process of 2-benzyl-N1-[1-{[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino}-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N4-(2-hydroxyethyl)-N4-methylbutanediamide

There total 7 articles about 2-benzyl-N1-[1-{[3-cyclohexyl-1-(3-ethyl-2-oxo-1,3-oxazolidin-5-yl)-1-hydroxypropan-2-yl]amino}-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N4-(2-hydroxyethyl)-N4-methylbutanediamide 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:

: 17791-52-5
(S)-2-tert-Butoxycarbonylamino-3-(3H-imidazol-4-yl)-propionic acid

: 122224-80-0
(R)-2-Benzyl-N¹-[(S)-1-[(1S,2R)-1-cyclohexylmethyl-2-((S)-3-ethyl-2-oxo-oxazolidin-5-yl)-2-hydroxy-ethylcarbamoyl]-2-(3H-imidazol-4-yl)-ethyl]-N⁴-(2-hydroxy-ethyl)-N⁴-methyl-succinamide

Guidance literature:: Multi-step reaction with 3 steps

1: 1-hydroxybenzotriazole, N-methylmorpholine, 1-ethyl-3-<(dimethylamino)propyl>carbodiimide hydrochloride / dimethylformamide / 1.) -23 deg C, 2 h, 2.) RT, 16 h

2: ethanolic HCl / 1 h

3: 1-hydroxybenzotriazole, N-methylmorpholine, 1-ethyl-3-<(dimethylamino)propyl>carbodiimide hydrochloride / dimethylformamide / 1.) -23 deg C, 2 h, 2.) RT, 16 h

With 4-methyl-morpholine; hydrogenchloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide;
DOI:10.1021/jm00169a024

Reference yield:

: 116129-80-7
(3R)-3-Benzyloxycarbonyl-3-phenylmethylpropionic acid

: 122224-80-0
(R)-2-Benzyl-N¹-[(S)-1-[(1S,2R)-1-cyclohexylmethyl-2-((S)-3-ethyl-2-oxo-oxazolidin-5-yl)-2-hydroxy-ethylcarbamoyl]-2-(3H-imidazol-4-yl)-ethyl]-N⁴-(2-hydroxy-ethyl)-N⁴-methyl-succinamide

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) N-methylmorpholine, isobutyl chloroformate / 1.) CH₂Cl₂, -10 deg C, 3 min, 2a.) -10 deg, 15 min, 2b.) RT, 2 h

2: 100 percent / H₂ / 10percent Pd/C / methanol / 1 h

3: 1-hydroxybenzotriazole, N-methylmorpholine, 1-ethyl-3-<(dimethylamino)propyl>carbodiimide hydrochloride / dimethylformamide / 1.) -23 deg C, 2 h, 2.) RT, 16 h

With 4-methyl-morpholine; hydrogen; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; isobutyl chloroformate; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00169a024

Reference yield:

: 122226-17-9
benzyl (2R)-2-benzyl-3-<<(2-hydroxyethyl)methylamino>carbonyl>propionate

: 122224-80-0
(R)-2-Benzyl-N¹-[(S)-1-[(1S,2R)-1-cyclohexylmethyl-2-((S)-3-ethyl-2-oxo-oxazolidin-5-yl)-2-hydroxy-ethylcarbamoyl]-2-(3H-imidazol-4-yl)-ethyl]-N⁴-(2-hydroxy-ethyl)-N⁴-methyl-succinamide

Guidance literature:: Multi-step reaction with 2 steps

1: 100 percent / H₂ / 10percent Pd/C / methanol / 1 h

2: 1-hydroxybenzotriazole, N-methylmorpholine, 1-ethyl-3-<(dimethylamino)propyl>carbodiimide hydrochloride / dimethylformamide / 1.) -23 deg C, 2 h, 2.) RT, 16 h

With 4-methyl-morpholine; hydrogen; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00169a024