3,5-Bis(4-(dimethylamino)benzylidene)-1-methyl-4-piperidinone

Base Information

• Chemical Name: 3,5-Bis(4-(dimethylamino)benzylidene)-1-methyl-4-piperidinone
• CAS No.: 3980-50-5
• Molecular Formula: C24H29N3O
• Molecular Weight: 375.5066
• Mol file: 3980-50-5.mol

Synonyms:NSC 96547;3980-50-5;3,5-Bis(4-(dimethylamino)benzylidene)-1-methyl-4-piperidinone;NSC96547;(3Z,5Z)-3,5-bis[(4-dimethylaminophenyl)methylene]-1-methyl-piperidin-4-one

Chemical Property of 3,5-Bis(4-(dimethylamino)benzylidene)-1-methyl-4-piperidinone

Chemical Property:

• Vapor Pressure: 2.53E-13mmHg at 25°C
• Boiling Point: 577.2°C at 760 mmHg
• Flash Point: 249.2°C
• Density: 1.153g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 375.231062557
• Heavy Atom Count: 28
• Complexity: 541

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CC(=CC2=CC=C(C=C2)N(C)C)C(=O)C(=CC3=CC=C(C=C3)N(C)C)C1
• Isomeric SMILES: CN1C/C(=C/C2=CC=C(C=C2)N(C)C)/C(=O)/C(=C\C3=CC=C(C=C3)N(C)C)/C1

Technology Process of 3,5-Bis(4-(dimethylamino)benzylidene)-1-methyl-4-piperidinone

There total 3 articles about 3,5-Bis(4-(dimethylamino)benzylidene)-1-methyl-4-piperidinone 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: 65.0%

1-Methyl-4-piperidone (1445-73-4) + 4-dimethylamino-benzaldehyde (100-10-7) → 1-methyl-3,5-bis[(E)-(4-dimethylaminophenyl)methylidene]-4-piperidone (119976-18-0,3980-50-5)

Guidance literature:

With pyrrolidine; sodium hydroxide; In ethanol; water; at 20 ℃;

Reference yield: 42.0%

1-Methyl-4-piperidone (1445-73-4) + 4-dimethylamino-benzaldehyde (100-10-7) → 3,5-bis-(4-dimethylaminobenzylidene)-1-methylpiperidin-4-one (3980-50-5)

Guidance literature:

With hydrogenchloride; acetic acid; at 20 - 40 ℃; for 48h; Sealed tube;

DOI:10.2174/2352096513999200714103641

Reference yield:

→ 1-methyl-3,5-bis[(E)-(4-dimethylaminophenyl)methylidene]-4-piperidone (119976-18-0,3980-50-5)

Guidance literature:

1-Methyl-4-piperidon, 4-Dimethylamino-benzaldehyd, ethanol. KOH;

upstream raw materials:

1-Methyl-4-piperidone

4-dimethylamino-benzaldehyde

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