1,3-Dimethyl-2,6-diphenylpiperidin-4-one

Base Information

• Chemical Name: 1,3-Dimethyl-2,6-diphenylpiperidin-4-one
• CAS No.: 5554-58-5
• Molecular Formula: C₁₉H₂₁NO
• Molecular Weight: 279.382
• NSC Number: 139645
• DSSTox Substance ID: DTXSID60300876,DTXSID101283000
• Nikkaji Number: J1.874.182B
• ChEMBL ID: CHEMBL1370310
• Mol file: 5554-58-5.mol

Synonyms:1,3-dimethyl-2,6-diphenylpiperidin-4-one;5554-58-5;CHEMBRDG-BB 5315297;5315-29-7;1,3-Dimethyl-2,6-diphenyl-piperidin-4-one;NSC139645;ChemDiv2_003614;Oprea1_014159;Oprea1_452209;MLS000114186;CHEMBL1370310;DTXSID60300876;DTXSID101283000;HMS1379E06;HMS2250C14;MFCD00418628;STL297449;AKOS000568009;AKOS021990456;NSC-139645;IDI1_002329;1,3-dimethyl-2,6-diphenyl-4-piperidone;BS-38033;SMR000091619;1,3-Dimethyl-2,6-diphenyl-4-piperidinone;1,3-Dimethyl-2,6-diphenylpiperidine-4-one;CS-0322926;AB00080333-01;SR-01000435684;SR-01000435684-1

Chemical Property of 1,3-Dimethyl-2,6-diphenylpiperidin-4-one

Chemical Property:

• Vapor Pressure: 3.97E-07mmHg at 25°C
• Boiling Point: 416°C at 760 mmHg
• Flash Point: 192.8°C
• Density: 1.064g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 279.162314293
• Heavy Atom Count: 21
• Complexity: 355

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(N(C(CC1=O)C2=CC=CC=C2)C)C3=CC=CC=C3

Technology Process of 1,3-Dimethyl-2,6-diphenylpiperidin-4-one

There total 19 articles about 1,3-Dimethyl-2,6-diphenylpiperidin-4-one 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: 78.0%

benzaldehyde (100-52-7) + methylamine (74-89-5) + butanone (78-93-3) → 1,3-dimethyl-2,6-diphenylpiperidin-4-one (5554-58-5,60598-63-2,64912-39-6,64912-40-9,66609-57-2)

Guidance literature:

benzaldehyde; methylamine; butanone; In water; at 45 - 50 ℃;

With hydrogenchloride; In water;

With ammonium hydroxide; In ethanol; water; at 0 ℃;

DOI:10.2478/s11696-011-0046-x

Reference yield: 52.0%

(1E,4E)-2-methyl-1,5-diphenylpenta-1,4-dien-3-one (14164-67-1) + methylamine (74-89-5) → cis-2,6-diphenyl-trans-3,N-dimethylpiperidin-4-one (5554-58-5,60598-63-2,64912-39-6,64912-40-9,66609-57-2)

Guidance literature:

In water; N,N-dimethyl-formamide; at 20 ℃; for 30h;

DOI:10.1002/jhet.5570400120

Reference yield:

benzaldehyde (100-52-7) + methylamine (74-89-5) + butanone (78-93-3) → cis-2,6-diphenyl-trans-3,N-dimethylpiperidin-4-one (5554-58-5,60598-63-2,64912-39-6,64912-40-9,66609-57-2)

Guidance literature:

With acetic acid; at 100 ℃;

DOI:10.1021/ja01191a092

upstream raw materials:

benzaldehyde

methylamine

butanone

1,3-dimethyl-2,6-diphenyl-piperidin-4-ol

Downstream raw materials:

2-amino-4r,6-dimethyl-5t,7t-diphenyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carbonitrile

r-2,c-6-diphenyl-t-3,N-dimethyl-4-piperidone oxime

c-2,c-6-diphenyl-t-3-methyl-N-methylpiperidin-r-4-ol

t-2,t-6-diphenyl-c-3,N-dimethylpiperidin-r-4-ol