Tetrakis(4-cyanophenyl)methane

Base Information

• Chemical Name: Tetrakis(4-cyanophenyl)methane
• CAS No.: 121706-21-6
• Molecular Formula: C29H16N4
• Molecular Weight: 420.473
• Hs Code.: 2926907090
• DSSTox Substance ID: DTXSID20413092
• Nikkaji Number: J662.563K
• Wikidata: Q82220901
• Mol file: 121706-21-6.mol

Synonyms:tetrakis(4-cyanophenyl)methane;121706-21-6;4-[tris(4-cyanophenyl)methyl]benzonitrile;4,4',4'',4'''-methanetetrayltetrabenzonitrile;Benzonitrile, 4,4',4'',4'''-methanetetrayltetrakis-;MFCD29049230;tetra(4-cyanophenyl) methane;YSZC143;SCHEMBL5838778;DTXSID20413092;WEA70621;AC1860;AKOS032455802;4,4,4,4-methanetetrayltetrabenzonitrile;CS-12110;SY037705;CS-0110613

Chemical Property of Tetrakis(4-cyanophenyl)methane

Chemical Property:

• Melting Point: 312 °C(Solv: acetonitrile (75-05-8))
• Boiling Point: 650.6±55.0 °C(Predicted)
• PSA: 95.16000
• Density: 1.30±0.1 g/cm3(Predicted)
• LogP: 5.55602
• Storage Temp.: 2-8°C
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 420.137496527
• Heavy Atom Count: 33
• Complexity: 702

Purity/Quality:

97% ^*data from raw suppliers

Tetrakis(4-cyanophenyl)methane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)(C3=CC=C(C=C3)C#N)C4=CC=C(C=C4)C#N
• Uses: Tetrakis(4-cyanophenyl)methane is used as a reactant in the synthesis of hydrogen-bonded organic frameworks.

Technology Process of Tetrakis(4-cyanophenyl)methane

There total 8 articles about Tetrakis(4-cyanophenyl)methane 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: 96.5%

tetrakis(4-bromophenyl)methane (105309-59-9) + potassium cyanide (151-50-8) → 4,4',4'',4'''-tetracyanotetraphenylcyanide (121706-21-6)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; palladium diacetate; potassium hydroxide; potassium iodide;

Reference yield: 89.0%

potassiumhexacyanoferrate(II) trihydrate + tetrakis(4-bromophenyl)methane (105309-59-9) → 4,4',4'',4'''-tetracyanotetraphenylcyanide (121706-21-6)

Guidance literature:

With palladium diacetate; sodium carbonate; In N,N-dimethyl acetamide; at 130 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1039/c7ce00265c

Reference yield: 56.0%

tetrakis(4-bromophenyl)methane (105309-59-9) + copper(l) cyanide → 4,4',4'',4'''-tetracyanotetraphenylcyanide (121706-21-6)

Guidance literature:

In N,N-dimethyl-formamide; at 140 ℃; for 48h; Inert atmosphere;

DOI:10.1021/ja2066016

upstream raw materials:

tetrakis(4-bromophenyl)methane

copper(I) cyanide

potassium cyanide

triphenylmethyl alcohol

Downstream raw materials:

tetraphenylmethane-4,4′,4″,4?-tetracarboxylic acid

tetrakis(4-2H-tetrazol-5-yl-phenyl)methane

tetrakis(4-amidiniumphenyl)methane tetrachloride

Tetraphenylmethane-4,4',4'',4'''-tetracarboxylic acid tetramethyl ester