3,3'-[(4-Formyl-3-methylphenyl)azanediyl]dipropanenitrile

Base Information

• Chemical Name: 3,3'-[(4-Formyl-3-methylphenyl)azanediyl]dipropanenitrile
• CAS No.: 20063-52-9
• Molecular Formula: C₁₄H₁₅N₃O
• Molecular Weight: 241.293
• DSSTox Substance ID: DTXSID20563268
• Nikkaji Number: J141.621I
• Wikidata: Q82447662
• Mol file: 20063-52-9.mol

Synonyms:20063-52-9;SCHEMBL10936725;DTXSID20563268;LMMURFSUPLTFQU-UHFFFAOYSA-N;3,3'-[(4-Formyl-3-methylphenyl)azanediyl]dipropanenitrile

Chemical Property of 3,3'-[(4-Formyl-3-methylphenyl)azanediyl]dipropanenitrile

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 241.121512110
• Heavy Atom Count: 18
• Complexity: 342

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,3'-[(4-Formyl-3-methylphenyl)azanediyl]dipropanenitrile

There total 2 articles about 3,3'-[(4-Formyl-3-methylphenyl)azanediyl]dipropanenitrile 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: 70.0%

N,N-bis-(2-cyanoethyl)-m-toluidine (18934-20-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → (2-methyl-4-N,N-bis-(2'-cyanoethyl)amino)benzaldehyde (20063-52-9)

Guidance literature:

With trichlorophosphate; for 3h; Heating;

Reference yield:

→ (2-methyl-4-N,N-bis-(2'-cyanoethyl)amino)benzaldehyde (20063-52-9)

Guidance literature:

N,N-Bis-(2-cyan-aethyl)-m-toluidin, N-Methyl-formanilid, POCl3 in o-Dichlorbenzol, Δ;

Reference yield: 87.5%

4-fluoroaniline (371-40-4) + (2-methyl-4-N,N-bis-(2'-cyanoethyl)amino)benzaldehyde (20063-52-9) → (2-methyl-4-(N,N-bis-(2'-cyanoethyl)amino)benzylidine)-p-fluoroaniline (947367-90-0)

Guidance literature:

With piperidine; In ethanol; for 4.5h; Reflux;

upstream raw materials:

N,N-bis-(2-cyanoethyl)-m-toluidine

N,N-dimethyl-formamide

Downstream raw materials:

3,3'-[3-methyl-4-(4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-phenylazanediyl]-bis-propionitrile

3,3'-[3-methyl-4-(5-oxo-2-phenyl-oxazol-4-ylidenemethyl)-phenylazanediyl]-bis-propionitrile

3,3'-[3-methyl-4-(5-oxo-2-styryl-oxazol-4-ylidenemethyl)-phenylazanediyl]-bis-propionitrile

3,3'-{4-[2-(2-chloro-phenyl)-5-oxo-oxazol-4-ylidenemethyl]-3-methyl-phenylazanediyl}-bis-propionitrile