Oxo sotalol

Base Information

• Chemical Name: Oxo sotalol
• CAS No.: 60735-85-5
• Molecular Formula: C₁₂H₁₈N₂O₃S
• Molecular Weight: 270.353
• European Community (EC) Number: 612-015-5
• UNII: UYF9Q60U7D
• DSSTox Substance ID: DTXSID60209552
• Wikidata: Q27291337
• Mol file: 60735-85-5.mol

Synonyms:Oxo sotalol;60735-85-5;UNII-UYF9Q60U7D;UYF9Q60U7D;N-[4-[2-(propan-2-ylamino)acetyl]phenyl]methanesulfonamide;N-(4-(((1-Methylethyl)amino)acetyl)phenyl)methanesulfonamide;Sotalol hydrochloride specified impurity B [EP];Methanesulfonamide, N-(4-(2-((1-methylethyl)amino)acetyl)phenyl)-;Sotalol EP Impurity B;DTXSID60209552;CS-O-10649;CS-O-11091;N-(4-{2-[(propan-2-yl)aminhanesulfonamide;4-(2-Iso-propylamino acetyl)methane sulfonanilide;Q27291337;SOTALOL HYDROCHLORIDE IMPURITY B [EP IMPURITY];N-(4-(2-(Isopropylamino)acetyl)phenyl)methanesulfonamide

Chemical Property of Oxo sotalol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 429.547oC at 760 mmHg
• PKA: 6.83±0.10(Predicted)
• Flash Point: 213.583oC
• PSA: 83.65000
• Density: 1.228g/cm3
• LogP: 2.78350
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 270.10381361
• Heavy Atom Count: 18
• Complexity: 365

Purity/Quality:

99.9% ^*data from raw suppliers

N-[4-[2-[(1-Methylethyl)amino]acetyl]phenyl]MethaneSulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C
• Uses: M335400 is an impurity of Sotalol (S677300) which is a class III antiarrythmic. It has been shown to prolong action potential and increases the refractory period.

Technology Process of Oxo sotalol

There total 3 articles about Oxo sotalol 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:

4'-(methylsulfonylamino)acetophenone (5317-89-5) → N-[4-(2-Isopropylamino-acetyl)-phenyl]-methanesulfonamide (60735-85-5)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂, (PhCO)2O₂ / diethyl ether

2: methanol

With bromine; dibenzoyl peroxide; In methanol; diethyl ether;

DOI:10.1021/jm00319a023

Reference yield:

p-aminobenzophenone (99-92-3) → N-[4-(2-Isopropylamino-acetyl)-phenyl]-methanesulfonamide (60735-85-5)

Guidance literature:

Multi-step reaction with 3 steps

1: Py

2: Br₂, (PhCO)2O₂ / diethyl ether

3: methanol

With pyridine; bromine; dibenzoyl peroxide; In methanol; diethyl ether;

DOI:10.1021/jm00319a023

Reference yield:

N-[4-(2-bromoacetyl)phenyl]methanesulfonamide (5577-42-4) + isopropylamine (75-31-0) → N-[4-(2-Isopropylamino-acetyl)-phenyl]-methanesulfonamide (60735-85-5)

Guidance literature:

In methanol;

DOI:10.1021/jm00319a023

upstream raw materials:

N-[4-(2-bromoacetyl)phenyl]methanesulfonamide

isopropylamine

4'-(methylsulfonylamino)acetophenone

p-aminobenzophenone

Refernces