Propanedinitrile, [(4-chlorophenyl)phenylmethylene]-

Base Information

• Chemical Name: Propanedinitrile, [(4-chlorophenyl)phenylmethylene]-
• CAS No.: 15517-61-0
• Molecular Formula: C16H9ClN2
• Molecular Weight: 264.70900
• DSSTox Substance ID: DTXSID30466610
• Nikkaji Number: J1.672.795D
• Mol file: 15517-61-0.mol

Synonyms:15517-61-0;Propanedinitrile, [(4-chlorophenyl)phenylmethylene]-;DTXSID30466610

Chemical Property of Propanedinitrile, [(4-chlorophenyl)phenylmethylene]-

Chemical Property:

• PSA: 47.58000
• LogP: 4.18906
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 264.0454260
• Heavy Atom Count: 19
• Complexity: 416

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=C(C#N)C#N)C2=CC=C(C=C2)Cl

Technology Process of Propanedinitrile, [(4-chlorophenyl)phenylmethylene]-

There total 2 articles about Propanedinitrile, [(4-chlorophenyl)phenylmethylene]- 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-chlorobenzophenone (134-85-0) + malononitrile (109-77-3) → dicyanomethylene-4-chlorobenzophenone (15517-61-0)

Guidance literature:

With ammonium acetate; In acetic acid; ethyl acetate; for 4h; Yield given; Heating;

DOI:10.1002/oms.1210181102

Reference yield:

→ dicyanomethylene-4-chlorobenzophenone (15517-61-0)

Guidance literature:

4-Chlor-benzophenon, Malonsaeure-dinitril, Ammoniumacetat, Essigsaeure, Benzol, Rueckfluss;

Reference yield: 89.0%

3-cyanobromobenzene (6952-59-6) + dicyanomethylene-4-chlorobenzophenone (15517-61-0) → 2-(3-bromophenyl)-3-phenyl-3-(4-chlorophenyl)-4-cyano-5-amino-3H-pyrrole

Guidance literature:

With samarium diiodide; In tetrahydrofuran; at 65 ℃; for 2h;

DOI:10.1039/b102268g

upstream raw materials:

4-chlorobenzophenone

malononitrile