Acetonitrile, (p-chloroanilino)phenyl-

Base Information

• Chemical Name: Acetonitrile, (p-chloroanilino)phenyl-
• CAS No.: 4686-05-9
• Molecular Formula: C14H11ClN2
• Molecular Weight: 242.708
• DSSTox Substance ID: DTXSID80963684
• Nikkaji Number: J1.894.153H
• Mol file: 4686-05-9.mol

Synonyms:Acetonitrile, (p-chloroanilino)phenyl-;4686-05-9;H-47;alpha-(4-Chlorophenylamino)phenylacetonitrile;Glycinonitrile, N-(p-chlorophenyl)-2-phenyl-;Benzeneacetonitrile, alpha-((4-chlorophenyl)amino)-;Oprea1_429437;SCHEMBL8790518;DTXSID80963684;Phenyl(4-chloroanilino)acetonitrile;(4-Chloroanilino)(phenyl)acetonitrile;AKOS005793322;2-(4-chlorophenylamino)-2-(phenyl)acetonitrile;(4-CHLORO-PHENYLAMINO)-PHENYL-ACETONITRILE

Chemical Property of Acetonitrile, (p-chloroanilino)phenyl-

Chemical Property:

• Vapor Pressure: 4.62E-07mmHg at 25°C
• Boiling Point: 413.9°Cat760mmHg
• Flash Point: 204.1°C
• Density: 1.262g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 242.0610761
• Heavy Atom Count: 17
• Complexity: 269

Purity/Quality:

95% ^*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#N)NC2=CC=C(C=C2)Cl

Technology Process of Acetonitrile, (p-chloroanilino)phenyl-

There total 20 articles about Acetonitrile, (p-chloroanilino)phenyl- 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: 98.0%

trimethylsilyl cyanide (7677-24-9) + benzaldehyde (100-52-7) + 4-chloro-aniline (106-47-8) → 2-(N-(4-chloroanilino))-2-phenylacetonitrile (4686-05-9)

Guidance literature:

With sulfamic acid-functionalized magnetic Fe₃O₄ nanoparticles; In water; at 20 ℃; for 0.166667h;

DOI:10.1016/j.apcata.2011.01.018

Reference yield: 97.0%

trimethylsilyl cyanide (7677-24-9) + N-(4-chlorobenzylidene)aniline (780-21-2) → 2-(N-(4-chloroanilino))-2-phenylacetonitrile (4686-05-9)

Guidance literature:

With C₂H₃O₇P₂^(5-)*3H⁽¹⁺⁾*2Ag⁽¹⁺⁾*C₁₀H₈N₂*2H₂O; In dichloromethane; at 20 ℃; for 4h; Reagent/catalyst; Inert atmosphere;

DOI:10.1039/d0dt02796k

Reference yield: 94.0%

zinc(II) cyanide (557-21-1) + benzaldehyde (100-52-7) + 4-chloro-aniline (106-47-8) → 2-(N-(4-chloroanilino))-2-phenylacetonitrile (4686-05-9)

Guidance literature:

With acetic acid; In ethanol; at 20 ℃; for 0.583333h;

DOI:10.1016/j.tetlet.2011.10.154

upstream raw materials:

potassium cyanide

benzaldehyde

4-chloro-aniline

trimethylsilyl cyanide

Downstream raw materials:

α.4-Chlor-anilino-α.N-diphenyl-nitron

C₁₈H₁₃ClN₂O

methyl 4-(4-chlorophenylamino)-4-cyano-2-methylene-4-phenylbutanoate