SulfaMide, N-[5-(4-broMophenyl)-6-(2-hydroxyethoxy)-4-pyriMidinyl]-N'-propyl-

Base Information

• Chemical Name: SulfaMide, N-[5-(4-broMophenyl)-6-(2-hydroxyethoxy)-4-pyriMidinyl]-N'-propyl-
• CAS No.: 1393813-43-8
• Molecular Formula: C15H19BrN4O4S
• Molecular Weight: 431.31
• Mol file: 1393813-43-8.mol

Synonyms:SulfaMide, N-[5-(4-broMophenyl)-6-(2-hydroxyethoxy)-4-pyriMidinyl]-N'-propyl-;N-[5-(4-Bromophenyl)-6-(2-hydroxyethoxy)-4-pyrimidinyl]-N'-propylsulfamide;N-(5-(4-bromophenyl)-6-(2-hydroxyethoxy)pyrimidin-4-yl)propane-1-sulfamide

Chemical Property of SulfaMide, N-[5-(4-broMophenyl)-6-(2-hydroxyethoxy)-4-pyriMidinyl]-N'-propyl-

Chemical Property:

• Boiling Point: 572.2±60.0 °C(Predicted)
• PKA: 5.01±0.50(Predicted)
• PSA: 121.82000
• Density: 1.553±0.06 g/cm3(Predicted)
• LogP: 3.47820

Purity/Quality:

HPLC>98% ^*data from raw suppliers

O-Desbromo-pyrimidinylMacitentan ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: O-Desbromo-pyrimidinyl Macitentan is an impurity of Macitentan (M105005); a dual orally active and potent endothelin receptor antagonist used for pulmonary arterial hypertension.

Technology Process of SulfaMide, N-[5-(4-broMophenyl)-6-(2-hydroxyethoxy)-4-pyriMidinyl]-N'-propyl-

There total 10 articles about SulfaMide, N-[5-(4-broMophenyl)-6-(2-hydroxyethoxy)-4-pyriMidinyl]-N'-propyl- 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: 86.0%

N-5-(4-bromophenyl)-6-chloro-4-pyrimidinyl-N‘-propylsulfamide (1393813-42-7) + ethylene glycol (107-21-1) → N‐[5‐(4‐bromophenyl)‐6‐[2‐hydroxyethoxy]‐4‐pyrimidinyl]‐N‐propylsulfamide (1393813-43-8)

Guidance literature:

ethylene glycol; With potassium tert-butylate; In 1,2-dimethoxyethane; at 40 ℃; for 0.166667h;

N-5-(4-bromophenyl)-6-chloro-4-pyrimidinyl-N‘-propylsulfamide; In 1,2-dimethoxyethane; at 100 ℃; for 70h;

DOI:10.1021/jm3009103

Reference yield: 86.0%

tert-butyl glycidyl ether (7580-85-0) + N-5-(4-bromophenyl)-6-chloro-4-pyrimidinyl-N‘-propylsulfamide (1393813-42-7) → N‐[5‐(4‐bromophenyl)‐6‐[2‐hydroxyethoxy]‐4‐pyrimidinyl]‐N‐propylsulfamide (1393813-43-8)

Guidance literature:

N-5-(4-bromophenyl)-6-chloro-4-pyrimidinyl-N‘-propylsulfamide; With potassium tert-butylate; In toluene; at 20 ℃; for 0.0833333h;

tert-butyl glycidyl ether; In toluene; at 85 ℃; for 2h;

With titanium tetrachloride; In toluene; at 35 ℃; for 20h;

Reference yield:

N-(5-(4-bromophenyl)-6-(2-(tert-butoxy)ethoxy)pyrimidin-4-yl)propane-1-sulfamide → N‐[5‐(4‐bromophenyl)‐6‐[2‐hydroxyethoxy]‐4‐pyrimidinyl]‐N‐propylsulfamide (1393813-43-8)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at 0 - 20 ℃; for 15h; Solvent;

upstream raw materials:

2-(4-bromophenyl)-acetic acid

(4-bromo-phenyl)-acetic acid methyl ester

2-(4-bromophenyl)-malonic acid dimethyl ester

5-(4-bromophenyl)-4,6-dihydroxypyrimidine

Downstream raw materials:

ACT-080803

2‐((6‐amino‐5‐(4‐bromophenyl)pyrimidin‐4‐yl)oxy)ethan‐1‐ol