2-[3-Cyano-4-[4-(dibutylamino)phenyl]-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene]malononitrile

Base Information

• Chemical Name: 2-[3-Cyano-4-[4-(dibutylamino)phenyl]-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene]malononitrile
• CAS No.: 113366-97-5
• Molecular Formula: C22H23N5O
• Molecular Weight: 373.458
• Mol file: 113366-97-5.mol

Synonyms:2-[3-Cyano-4-[4-(dibutylamino)phenyl]-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene]malononitrile

Chemical Property of 2-[3-Cyano-4-[4-(dibutylamino)phenyl]-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene]malononitrile

Chemical Property:

• PSA: 103.71000
• LogP: 4.13024

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-[3-Cyano-4-[4-(dibutylamino)phenyl]-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene]malononitrile

There total 5 articles about 2-[3-Cyano-4-[4-(dibutylamino)phenyl]-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene]malononitrile 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: 60.0%

N-Dibutylaniline (613-29-6) + 4-cyano-5-dicyanomethylene-3-hydroxy-2-oxo-3-pyrroline-disodium salt → 2-[3-cyano-4-(4-dibutylamino-phenyl)-5-oxo-1,5-dihydro-pyrrol-2-ylidene]-malononitrile (113366-97-5)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide; at 20 ℃; for 5h; Cooling with ice;

Reference yield: 58.0%

N-Dibutylaniline (613-29-6) + C8ClN4O(1-)*Na(1+) → 2-[3-cyano-4-(4-dibutylamino-phenyl)-5-oxo-1,5-dihydro-pyrrol-2-ylidene]-malononitrile (113366-97-5)

Guidance literature:

N-Dibutylaniline; C₈ClN₄O^(1-)*Na⁽¹⁺⁾; In N,N-dimethyl-formamide; at 0 - 5 ℃; for 3h;

With methanol; In water; at 0 - 10 ℃; for 2h;

Reference yield:

aniline (62-53-3) → 2-[3-cyano-4-(4-dibutylamino-phenyl)-5-oxo-1,5-dihydro-pyrrol-2-ylidene]-malononitrile (113366-97-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / Heating

2: trichlorophosphate

With potassium carbonate; trichlorophosphate; In N,N-dimethyl-formamide;

DOI:10.1080/15421406.2016.1200935

upstream raw materials:

N-Dibutylaniline

aniline

Downstream raw materials:

C₂₈H₃₃N₅O₃

2-[1-benzyl-3-cyano-5-oxo-4-(4-dibutylamino-phenyl)-1,5-dihydro-pyrrol-2-ylidene]-malononitrile