4-(Diphenylamino)benzonitrile

Base Information

• Chemical Name: 4-(Diphenylamino)benzonitrile
• CAS No.: 20441-00-3
• Molecular Formula: C19H14N2
• Molecular Weight: 270.334
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID00431996
• Nikkaji Number: J1.188.295A
• Wikidata: Q82246058
• Mol file: 20441-00-3.mol

Synonyms:4-(diphenylamino)benzonitrile;20441-00-3;4-(N-phenylanilino)benzonitrile;Benzonitrile, 4-(diphenylamino)-;4-cyanotriphenylamine;N,N-diphenyl-p-cyanoaniline;SCHEMBL151680;N-(4-cyanophenyl)diphenylamine;DTXSID00431996;BS-52225;CS-0160957;E77217

Chemical Property of 4-(Diphenylamino)benzonitrile

Chemical Property:

• Melting Point: 125.8-126.5 °C(Solv: ethanol (64-17-5))
• Boiling Point: 441.4±28.0 °C(Predicted)
• PKA: -5.54±0.30(Predicted)
• PSA: 27.03000
• Density: 1.19±0.1 g/cm3(Predicted)
• LogP: 5.02808
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 270.115698455
• Heavy Atom Count: 21
• Complexity: 331

Purity/Quality:

99%min. ^*data from raw suppliers

4-DIPHENYLAMINO BENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C#N

Technology Process of 4-(Diphenylamino)benzonitrile

There total 14 articles about 4-(Diphenylamino)benzonitrile 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: 97.0%

4-bromobenzenecarbonitrile (623-00-7) + diphenylamine (122-39-4) → 4-(diphenylamino)benzonitrile (20441-00-3)

Guidance literature:

With tri-tert-butyl phosphine; bis(dibenzylideneacetone)-palladium⁽⁰⁾; sodium t-butanolate; In toluene; for 1h; Ambient temperature;

DOI:10.1021/jo990408i

Reference yield: 96.0%

4-Cyanochlorobenzene (623-03-0) + diphenylamine (122-39-4) → 4-(diphenylamino)benzonitrile (20441-00-3)

Guidance literature:

With monophosphine 1,2,3,4,5-pentaphenyl-1'-(di-tert-butylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium⁽⁰⁾; sodium t-butanolate; In toluene; at 45 ℃; for 21h;

DOI:10.1021/jo025732j

Reference yield: 96.0%

4-iodobenzonitrile (3058-39-7) + diphenylamine (122-39-4) → 4-(diphenylamino)benzonitrile (20441-00-3)

Guidance literature:

With copper(l) iodide; 5,6,9,10-tetrahydro-4H,8H-pyrido[3,2,1-ij][1,6]naphthyridine; sodium t-butanolate; In toluene; at 110 ℃; for 40h;

DOI:10.1016/j.tetlet.2007.05.094

upstream raw materials:

4-Cyanochlorobenzene

diphenylamine

4-bromobenzenecarbonitrile

4-(diphenylamino)benzaldehyde

Downstream raw materials:

4-(diphenylamino)benzaldehyde

N,N-diphenyl-4-(2H-tetrazol-5-yl)benzenamine

2-(4-N,N'-diphenylaminophenyl)-5-(4-formalphenyl)-1,3,4-oxadiazole

N,N-diphenyl-N-(4-vinylphenyl)amine