3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(2,2,2-triflu oroethylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-(2,2,2-tr ifluoroethyl)benzamide

Base Information

• Chemical Name: 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(2,2,2-triflu oroethylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-(2,2,2-tr ifluoroethyl)benzamide
• CAS No.: 183860-46-0
• Molecular Formula: C₃₉H₃₈F₆N₄O₅
• Molecular Weight: 756.745
• Mol file: 183860-46-0.mol

Synonyms:Benzamide,3,3'-[[tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)]bis[N-(2,2,2-trifluoroethyl)-,[4R-(4a,5a,6b,7b)]-

Chemical Property of 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(2,2,2-triflu oroethylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-(2,2,2-tr ifluoroethyl)benzamide

Chemical Property:

• Vapor Pressure: 2.48E-30mmHg at 25°C
• Boiling Point: 844.9°Cat760mmHg
• Flash Point: 464.8°C
• PSA: 129.19000
• Density: 1.359g/cm³
• LogP: 6.67840

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(2,2,2-triflu oroethylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-(2,2,2-tr ifluoroethyl)benzamide

There total 5 articles about 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(2,2,2-triflu oroethylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-(2,2,2-tr ifluoroethyl)benzamide 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:

C42H42F6N4O5 → (4α,5α,6β,7β)-3,3'-[(tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene)]bis[N-(2,2,2-trifluoroethyl)benzamide] (183860-46-0)

Guidance literature:

With hydrogenchloride; In chloroform; Yield given; Ambient temperature;

DOI:10.1021/jm9602773

Reference yield:

3-methoxycarbonylbenzyl bromide (1129-28-8) → (4α,5α,6β,7β)-3,3'-[(tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene)]bis[N-(2,2,2-trifluoroethyl)benzamide] (183860-46-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 1.) NaH / 1.) DMF, 30 min, 2.) DMF, RT, 72 h

2: 95 percent / 1 N NaOH / dioxane / Ambient temperature

3: triethylamine, 1-<3-(dimethylamino)propyl>-3-ethylcarbodiimide hydrochloride / dimethylformamide / 16 h / Ambient temperature

4: 1 N HCl in Et₂O / CHCl₃ / Ambient temperature

With hydrogenchloride; sodium hydroxide; sodium hydride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In 1,4-dioxane; chloroform; N,N-dimethyl-formamide;

DOI:10.1021/jm9602773

Reference yield:

(3aS,4R,8R,8aS)-4,8-dibenzyl-2,2-dimethyltetrahydro-3aH-[1,3]dioxolo[4,5-e][1,3]diazepin-6(7H)-one (170028-72-5) → (4α,5α,6β,7β)-3,3'-[(tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene)]bis[N-(2,2,2-trifluoroethyl)benzamide] (183860-46-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 1.) NaH / 1.) DMF, 30 min, 2.) DMF, RT, 72 h

2: 95 percent / 1 N NaOH / dioxane / Ambient temperature

3: triethylamine, 1-<3-(dimethylamino)propyl>-3-ethylcarbodiimide hydrochloride / dimethylformamide / 16 h / Ambient temperature

4: 1 N HCl in Et₂O / CHCl₃ / Ambient temperature

With hydrogenchloride; sodium hydroxide; sodium hydride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In 1,4-dioxane; chloroform; N,N-dimethyl-formamide;

DOI:10.1021/jm9602773

upstream raw materials:

3-methoxycarbonylbenzyl bromide

(3aS,4R,8R,8aS)-4,8-dibenzyl-2,2-dimethyltetrahydro-3aH-[1,3]dioxolo[4,5-e][1,3]diazepin-6(7H)-one

(3aα,4β,8α,8aβ)-3,3'-[(dihydro-2,2-dimethyl-6-oxo-4,8-bis(phenylmethyl)-4H-1,3-dioxolo[4,5-e][1,3]diazepine-5,7(6H,8H)-diyl)bis(methylene)]bis[benzoic acid]

Refernces