1-(3-Chloro-4-methoxyphenyl)-4-piperidone

Base Information

• Chemical Name: 1-(3-Chloro-4-methoxyphenyl)-4-piperidone
• CAS No.: 250718-96-8
• Molecular Formula: C₁₂H₁₄ClNO₂
• Molecular Weight: 239.702
• DSSTox Substance ID: DTXSID50456255
• Nikkaji Number: J1.327.639K
• Wikidata: Q82278574
• Mol file: 250718-96-8.mol

Synonyms:250718-96-8;1-(3-CHLORO-4-METHOXYPHENYL)-4-PIPERIDONE;1-(3-chloro-4-methoxyphenyl)piperidin-4-one;4-Piperidinone, 1-(3-chloro-4-methoxyphenyl)-;DTXSID50456255;AKOS000183615;1-(3-Chloro-4-methoxyphenyl)piperidine-4-one

Chemical Property of 1-(3-Chloro-4-methoxyphenyl)-4-piperidone

Chemical Property:

• PSA: 29.54000
• LogP: 2.58290
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 239.0713064
• Heavy Atom Count: 16
• Complexity: 249

Purity/Quality:

98% ^*data from raw suppliers

1-(3-Chloro-4-methoxyphenyl)-4-piperidone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)N2CCC(=O)CC2)Cl

Technology Process of 1-(3-Chloro-4-methoxyphenyl)-4-piperidone

There total 2 articles about 1-(3-Chloro-4-methoxyphenyl)-4-piperidone 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: 73.0%

1-benzyl-1-methyl-4-oxopiperidin-1-ium iodide salt (77542-27-9) + 3-chloro-4-methoxyaniline (5345-54-0) → C12H14O2NCl (250718-96-8)

Guidance literature:

With potassium carbonate; In ethanol; water; for 0.75h; Heating;

DOI:10.1021/ol990930r

Reference yield:

1-phenylmethyl-4-piperidone (3612-20-2) → C12H14O2NCl (250718-96-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / acetone / 3 h / 20 °C

2: 73 percent / potassium carbonate / ethanol; H₂O / 0.75 h / Heating

With potassium carbonate; In ethanol; water; acetone;

DOI:10.1021/ol990930r

upstream raw materials:

1-benzyl-1-methyl-4-oxopiperidin-1-ium iodide salt

3-chloro-4-methoxyaniline

1-phenylmethyl-4-piperidone