2-[1-(4-Aminophenyl)ethylidene]propanedinitrile

Base Information

• Chemical Name: 2-[1-(4-Aminophenyl)ethylidene]propanedinitrile
• CAS No.: 122520-80-3
• Molecular Formula: C11H9N3
• Molecular Weight: 183.213
• DSSTox Substance ID: DTXSID10416173
• Nikkaji Number: J3.001.917B
• ChEMBL ID: CHEMBL77280
• Mol file: 122520-80-3.mol

Synonyms:2-[1-(4-aminophenyl)ethylidene]propanedinitrile;122520-80-3;benzylidenemalononitrile (BMN) deriv. 37;CHEMBL77280;BDBM4353;SCHEMBL10154445;DTXSID10416173;2-[1-(4-Aminophenyl)ethylidene]malononitrile

Chemical Property of 2-[1-(4-Aminophenyl)ethylidene]propanedinitrile

Chemical Property:

• Melting Point: 190 °C
• Boiling Point: 368.4 °C at 760 mmHg
• Flash Point: 176.6 °C
• PSA: 73.60000
• Density: 1.177 g/cm³
• LogP: 2.67066
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 183.079647300
• Heavy Atom Count: 14
• Complexity: 310

Purity/Quality:

98%Min ^*data from raw suppliers

2-[1-(4-Aminophenyl)ethylidene]propanedinitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-[1-(4-Aminophenyl)ethylidene]propanedinitrile

There total 1 articles about 2-[1-(4-Aminophenyl)ethylidene]propanedinitrile 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: 92.0%

p-aminobenzophenone (99-92-3) + malononitrile (109-77-3) → 2-(1-(4-aminophenyl)-ethylidene)malononitrile (122520-80-3)

Guidance literature:

With ammonium acetate; acetic acid; for 0.0333333h; Microwave irradiation;

DOI:10.1016/j.molstruc.2017.07.102

Reference yield: 96.0%

carbon disulfide (75-15-0,12122-00-8) + 2-(1-(4-aminophenyl)-ethylidene)malononitrile (122520-80-3) + methyl iodide (74-88-4) → 2-(1-(4-aminophenyl)-3,3-bis(methylthio)allylidene)malononitrile

Guidance literature:

2-(1-(4-aminophenyl)-ethylidene)malononitrile; With sodium hydride; In tetrahydrofuran; at 0 - 5 ℃;

carbon disulfide; In tetrahydrofuran;

methyl iodide; In tetrahydrofuran; at 0 - 20 ℃; for 3.5h;

DOI:10.1039/d0ob00998a

Reference yield: 84.0%

2-(1-(4-aminophenyl)-ethylidene)malononitrile (122520-80-3) + 4-chlorobenzaldehyde (104-88-1) → (E)-2-(1-(4-aminophenyl)-3-(4-chlorophenyl)allylidene)malononitrile

Guidance literature:

With piperidine; In ethanol; at 78 ℃;

DOI:10.1016/j.molstruc.2020.129583

upstream raw materials:

p-aminobenzophenone

malononitrile

Downstream raw materials:

C₁₃H₁₁N₃OS

C₂₁H₁₅N₅O₅S

2-amino-4-(4-aminophenyl)thiophene-3-carbonitrile

2-[1-(4-acetaminophenyl)ethylidene]malononitrile

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