Simendan

Base Information

• Chemical Name: Simendan
• CAS No.: 131741-08-7
• Molecular Formula: C14H12N6O
• Molecular Weight: 280.289
• Hs Code.: 2933990090
• Mol file: 131741-08-7.mol

Synonyms:Propanedinitrile,[[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazono]- (9CI);((4-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono)propanedinitrile;2-[[4-(4-Methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinylidene]propanedinitrile;

Chemical Property of Simendan

Chemical Property:

• Refractive Index: 1.673
• PKA: 6.12±0.10(Predicted)
• PSA: 113.43000
• Density: 1.33 g/cm³
• LogP: 1.19916
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), THF (Slightly, Sonicated)

Purity/Quality:

98% ^*data from raw suppliers

Simendan ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Simendan is the racemic mixture of Levosimendan (L378000) which is a positive inotropic agent with vasodilating activity.

Technology Process of Simendan

There total 3 articles about Simendan 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: 98.0%

→ (-)-[[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazono]-propanedinitrile (131741-08-7,144238-75-5)

Guidance literature:

Reference yield: 97.0%

6-(4-aminophenyl)-5-methylpyridazine-3(2H)-one (52240-11-6) → (-)-[[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazono]-propanedinitrile (131741-08-7,144238-75-5)

Guidance literature:

Reference yield:

malononitrile (109-77-3) + 6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone (36725-28-7) → (-)-[[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazono]-propanedinitrile (131741-08-7,144238-75-5)

Guidance literature:

With sodium nitrite;

upstream raw materials:

6-(4-aminophenyl)-5-methylpyridazine-3(2H)-one

malononitrile

6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone

Downstream raw materials:

levosimendan

(+)-{[4-(1,4,5,5-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazono}propanedinitrile

6-[4-(1,1-dicyanomethylidene-N-methylhydrazino)phenyl]-4,5-dihydro-5-methylpyridazin-3(2H)one

Refernces

• 1、 -. "(-)-[[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]-hydrazono]pr". . . Retrieved 2008/06/13.