N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-((3-iodobenzyl)amino)butan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide

Base Information

• Chemical Name: N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-((3-iodobenzyl)amino)butan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide
• CAS No.: 388063-46-5
• Molecular Formula: C₃₂H₃₈F₂IN₃O₃
• Molecular Weight: 677.573
• Mol file: 388063-46-5.mol

Synonyms:N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-((3-iodobenzyl)aMino)butan-2-yl)-5-Methyl-N3,N3-dipropylisophthalaMide;1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-iodophenyl)methylamino]butan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1,3-Benzenedicarboxamide, N3-[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-[[(3-iodophenyl)methyl]amino]propyl]-5-methyl-N1,N1-dipropyl-

Chemical Property of N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-((3-iodobenzyl)amino)butan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide

Chemical Property:

• PSA: 85.16000
• LogP: 6.59750

Purity/Quality:

99% ^*data from raw suppliers

N1-((2S,3R)-1-(3,5-DIFLUOROPHENYL)-3-HYDROXY-4-((3-IODOBENZYL)AMINO)BUTAN-2-YL)-5-METHYL-N3,N3-DIPROPYLISOPHTHALAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-((3-iodobenzyl)amino)butan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide

There total 12 articles about N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-((3-iodobenzyl)amino)butan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide 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:

3-methyl-5-[(dipropylamino)carbonyl]benzoic acid (388072-25-1) + 3-amino-4-(3,5-difluoro-phenyl)-1-(3-iodo-benzylamino)-butan-2-ol (388072-74-0) → N1-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl}-5-methyl-N3,N3-dipropylisophthalamide (388063-46-5)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In N,N-dimethyl-formamide; at 0 - 20 ℃;

DOI:10.1021/jm061242y

Reference yield:

tert-butyl (1S)-2-(3,5-difluorophenyl)-1-[(2S)-oxiranyl]ethylcarbamate (388071-27-0) → N1-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl}-5-methyl-N3,N3-dipropylisophthalamide (388063-46-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 70 percent / silica gel / CH₂Cl₂ / 72 h / 20 °C

2: TFA / CH₂Cl₂ / 1 h / 20 °C

3: Et₃N; hydroxybenzotriazole; 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride / dimethylformamide / 0 - 20 °C

With silica gel; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm061242y

Reference yield:

(1S,2R)-[1-(3,5-difluorobenzyl)-2-hydroxy-3-(3-iodobenzylamino)propyl]-carbamic acid tert-butyl ester (388071-41-8) → N1-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl}-5-methyl-N3,N3-dipropylisophthalamide (388063-46-5)

Guidance literature:

Multi-step reaction with 2 steps

1: TFA / CH₂Cl₂ / 1 h / 20 °C

2: Et₃N; hydroxybenzotriazole; 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride / dimethylformamide / 0 - 20 °C

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm061242y

upstream raw materials:

3-methyl-5-[(dipropylamino)carbonyl]benzoic acid

3-amino-4-(3,5-difluoro-phenyl)-1-(3-iodo-benzylamino)-butan-2-ol

tert-butyl (1S)-2-(3,5-difluorophenyl)-1-[(2S)-oxiranyl]ethylcarbamate

(1S,2R)-[1-(3,5-difluorobenzyl)-2-hydroxy-3-(3-iodobenzylamino)propyl]-carbamic acid tert-butyl ester