Benzonitrile, 4-[(2-propenylimino)methyl]-

Base Information

• Chemical Name: Benzonitrile, 4-[(2-propenylimino)methyl]-
• CAS No.: 89192-83-6
• Molecular Formula: C11H10N2
• Molecular Weight: 170.214
• DSSTox Substance ID: DTXSID10473463
• Nikkaji Number: J2.129.731C
• Mol file: 89192-83-6.mol

Synonyms:Benzonitrile, 4-[(2-propenylimino)methyl]-;89192-83-6;DTXSID10473463

Chemical Property of Benzonitrile, 4-[(2-propenylimino)methyl]-

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 170.084398327
• Heavy Atom Count: 13
• Complexity: 226

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCN=CC1=CC=C(C=C1)C#N

Technology Process of Benzonitrile, 4-[(2-propenylimino)methyl]-

There total 2 articles about Benzonitrile, 4-[(2-propenylimino)methyl]- 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: 100.0%

4-cyanobenzaldehyde (105-07-7) + 1-amino-2-propene (107-11-9,30551-89-4) → 4-[(E)-(prop-2-en-1-ylimino)methyl]benzonitrile (89192-83-6)

Guidance literature:

With sodium sulfate; In dichloromethane; at 23 ℃; for 3h; Inert atmosphere; Sealed tube;

DOI:10.1021/jacs.7b06811

Reference yield:

4-cyanobenzaldehyde (105-07-7) + 1-amino-2-propene (107-11-9,30551-89-4) → 4-cyanobenzaldehyde N-allylimine (89192-83-6)

Guidance literature:

In dichloromethane; or in benzene;

DOI:10.1016/S0040-4020(01)87899-6

Reference yield: 83.0%

4-cyanobenzaldehyde N-allylimine (89192-83-6) → 4-((allylamino)methyl)benzonitrile (1019612-33-9)

Guidance literature:

4-cyanobenzaldehyde N-allylimine; With C₂₁H₃₉NPPd^(1-)*C₂F₃O₂^(1-); phenylsilane; In chloroform-d1; at 40 ℃; for 30h; Glovebox; Sealed tube;

With water; In chloroform-d1; regioselective reaction; Sealed tube; Glovebox;

DOI:10.1039/c5cy01859e

upstream raw materials:

4-cyanobenzaldehyde

1-amino-2-propene

Downstream raw materials:

diethyl allylamino(4-cyanophenyl)methanephosphonate

4-((allylamino)methyl)benzonitrile