3-Cyano-1-[(4-cyanophenyl)methyl]quinolin-1-ium

Base Information

• Chemical Name: 3-Cyano-1-[(4-cyanophenyl)methyl]quinolin-1-ium
• CAS No.: 89321-43-7
• Molecular Formula: C₁₈H₁₂N₃
• Molecular Weight: 270.313
• DSSTox Substance ID: DTXSID20556079
• Wikidata: Q82437551

Synonyms:89321-43-7;3-Cyano-1-[(4-cyanophenyl)methyl]quinolin-1-ium;DTXSID20556079

Chemical Property of 3-Cyano-1-[(4-cyanophenyl)methyl]quinolin-1-ium

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 270.103122396
• Heavy Atom Count: 21
• Complexity: 446

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(C=[N+]2CC3=CC=C(C=C3)C#N)C#N

Technology Process of 3-Cyano-1-[(4-cyanophenyl)methyl]quinolin-1-ium

There total 1 articles about 3-Cyano-1-[(4-cyanophenyl)methyl]quinolin-1-ium 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:

1-(4-Cyano-benzyl)-4-hydroxy-1,4-dihydro-quinoline-3-carbonitrile (125076-51-9) → 3-Cyano-1-(4-cyano-benzyl)-quinolinium (89321-43-7)

Guidance literature:

In water; isopropyl alcohol; at 25 ℃; Equilibrium constant;

DOI:10.1021/ja00321a011

Reference yield:

3-Cyano-1-(4-cyano-benzyl)-quinolinium (89321-43-7) → 1-(4-Cyano-benzyl)-4-hydroxy-1,4-dihydro-quinoline-3-carbonitrile (125076-51-9)

Guidance literature:

With hydroxide; In water; isopropyl alcohol; Rate constant;

Reference yield:

3-Cyano-1-(4-cyano-benzyl)-quinolinium (89321-43-7) → C18H13N3 + 1-(4-Cyano-benzyl)-1,4-dihydro-quinoline-3-carbonitrile (111977-14-1)

Guidance literature:

With hydroxide; borohydride; In water; isopropyl alcohol; Rate constant;

upstream raw materials:

1-(4-Cyano-benzyl)-4-hydroxy-1,4-dihydro-quinoline-3-carbonitrile

Downstream raw materials:

1-(4-Cyano-benzyl)-4-hydroxy-1,4-dihydro-quinoline-3-carbonitrile

1-(4-Cyano-benzyl)-1,4-dihydro-quinoline-3-carbonitrile

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