Pentisomide

Base Information

• Chemical Name: Pentisomide
• CAS No.: 78833-03-1
• Deprecated CAS: 96513-83-6
• Molecular Formula: C19H33 N3 O
• Molecular Weight: 319.491
• European Community (EC) Number: 278-989-5
• UNII: 506T8KTW5Q
• DSSTox Substance ID: DTXSID40869274
• Nikkaji Number: J319.183D
• Wikidata: Q27260771
• NCI Thesaurus Code: C90666
• ChEMBL ID: CHEMBL141837
• Mol file: 78833-03-1.mol

Synonyms:2-(2-(diisopropylamino)ethyl)-4-methyl-2-(2-pyridyl)pentamide;CM 7857;CM-7857;ME 3202;penticainide;pentisomide;propisomide

Chemical Property of Pentisomide

Chemical Property:

• Melting Point: 108-1090C
• Boiling Point: 460.5±45.0 °C(Predicted)
• PKA: 15.87±0.50(Predicted)
• PSA: 59.22000
• Density: 0.987±0.06 g/cm3(Predicted)
• LogP: 4.06000
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 319.262362685
• Heavy Atom Count: 23
• Complexity: 360

Purity/Quality:

99% ^*data from raw suppliers

Pentisomide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(CCN(C(C)C)C(C)C)(C1=CC=CC=N1)C(=O)N
• Uses: Sodium channel blocker; derivative of disopyramide. Antiarrhythmic (class I) Pentisomide is a sodium channel blocker; derivative of disopyramide. Antiarrhythmic (class I).

Technology Process of Pentisomide

There total 5 articles about Pentisomide 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: 54.0%

2-<2-(diisopropylamino)ethyl>-4-methyl-2-(2-pyridyl)pentanenitrile (78833-05-3) → Pentisomide (78833-03-1,96513-83-6)

Guidance literature:

With sulfuric acid; at 120 ℃; for 1h;

DOI:10.1021/jm00357a026

Reference yield:

pyridine-2-acetonitrile (2739-97-1) → Pentisomide (78833-03-1,96513-83-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 97 percent / acetic acid, piperidine / benzene / 3 h / Heating

2: 99 percent / H₂ / 5 percent Pd/C / ethanol / 760 Torr / Ambient temperature

3: sodamide / toluene / 2 h / Heating

4: 54 percent / conc. H₂SO₄ / 1 h / 120 °C

With piperidine; sulfuric acid; hydrogen; sodium amide; acetic acid; palladium on activated charcoal; In ethanol; toluene; benzene;

DOI:10.1021/jm00357a026

Reference yield:

4-methyl-2-(2-pirydyl)-2-pentenenitrile (22346-07-2) → Pentisomide (78833-03-1,96513-83-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 99 percent / H₂ / 5 percent Pd/C / ethanol / 760 Torr / Ambient temperature

2: sodamide / toluene / 2 h / Heating

3: 54 percent / conc. H₂SO₄ / 1 h / 120 °C

With sulfuric acid; hydrogen; sodium amide; palladium on activated charcoal; In ethanol; toluene;

DOI:10.1021/jm00357a026

upstream raw materials:

2-<2-(diisopropylamino)ethyl>-4-methyl-2-(2-pyridyl)pentanenitrile

pyridine-2-acetonitrile

4-methyl-2-(2-pyridyl)pentanenitrile

4-methyl-2-(2-pirydyl)-2-pentenenitrile

Refernces

• 1、 -. "Myocardium-protecting pyridine derivatives having an anti-arrhythmic activity and an activity as blood-platelets antiaggregants". . . Retrieved 2008/06/13.