1-(4-Methylphenyl)piperidin-4-one

Base Information

• Chemical Name: 1-(4-Methylphenyl)piperidin-4-one
• CAS No.: 105123-89-5
• Molecular Formula: C12H15NO
• Molecular Weight: 189.257
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60444325
• Wikidata: Q82262443
• Mol file: 105123-89-5.mol

Synonyms:105123-89-5;1-(4-methylphenyl)piperidin-4-one;1-(p-Tolyl)piperidin-4-one;1-(4-methylphenyl)-4-piperidinone;4-Piperidinone, 1-(4-methylphenyl)-;1-P-Tolyl-Piperidin-4-One;1-p-Tolylpiperidin-4-one;SCHEMBL759560;(4-methylphenyl)piperidin-4-one;DTXSID60444325;MFCD05864504;AKOS000174029;SB42572;1-p-Tolyl-piperidin-4-one, AldrichCPR;BS-37044;FT-0750754;EN300-2696086

Chemical Property of 1-(4-Methylphenyl)piperidin-4-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 345.647oC at 760 mmHg
• Flash Point: 138.375oC
• PSA: 20.31000
• Density: 1.085g/cm3
• LogP: 2.22930
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.115364102
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

98%min ^*data from raw suppliers

1-(p-Tolyl)piperidin-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2CCC(=O)CC2

Technology Process of 1-(4-Methylphenyl)piperidin-4-one

There total 8 articles about 1-(4-Methylphenyl)piperidin-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: 80.0%

1-(4-tolyl)piperidin-4-ol (119836-09-8) → 1-(4-methylphenyl)piperidin-4-one (105123-89-5)

Guidance literature:

With pyridine; dimethyl sulfoxide; dicyclohexyl-carbodiimide; trifluoroacetic acid; In benzene; 1) 0 deg C 2) RT, 24 h;

Reference yield:

N-(4-methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane → 1-(4-methylphenyl)piperidin-4-one (105123-89-5)

Guidance literature:

With formic acid; at 90 ℃; for 8h;

Reference yield:

1,5-dichloropentan-3-one (3592-25-4) → 1-(4-methylphenyl)piperidin-4-one (105123-89-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 76 percent / NaBH₄ / ethanol / 2 h / -5 °C

2: 82 percent / K₂CO₃, NaI / dimethylformamide / 1.5 h / 100 °C / var.: THF, LDA, -70 deg C

3: 80 percent / DCC, DMSO, pyridine, TFA / benzene / 1) 0 deg C 2) RT, 24 h

With pyridine; sodium tetrahydroborate; potassium carbonate; dimethyl sulfoxide; dicyclohexyl-carbodiimide; trifluoroacetic acid; sodium iodide; In ethanol; N,N-dimethyl-formamide; benzene;

upstream raw materials:

1-(4-tolyl)piperidin-4-ol

N,N-di-(2-ethoxycarbonylethyl)-p-toluidine

1,5-dichloropentan-3-one

1,5-Dichloropentan-3-ol

Downstream raw materials:

1-N-[(2-chloro-4-methyl)phenyl]-4,4-dimethoxypiperidine

1-(2-Chloro-4-methylphenyl)-4-methoxy-1,2,5,6-tetrahydropyridine

C₄₁H₄₆Cl₂N₅O₁₇P

1-[(2R,3R,4R,5R)-3-[1-(2-Chloro-4-methyl-phenyl)-4-methoxy-piperidin-4-yloxy]-4-hydroxy-5-(9-phenyl-9H-xanthen-9-yloxymethyl)-tetrahydro-furan-2-yl]-1H-pyrimidine-2,4-dione