3-[(3-Methoxyphenyl)methyl]cyclohexanone

Base Information

• Chemical Name: 3-[(3-Methoxyphenyl)methyl]cyclohexanone
• CAS No.: 171046-92-7
• Molecular Formula: C₁₄H₁₈O₂
• Molecular Weight: 218.296
• DSSTox Substance ID: DTXSID00598331
• Mol file: 171046-92-7.mol

Synonyms:3-[(3-METHOXYPHENYL)METHYL]CYCLOHEXANONE;171046-92-7;3-[(3-methoxyphenyl)methyl]cyclohexan-1-one;MFCD03841070;SCHEMBL8065254;3-(3-methoxybenzyl)cyclohexanone;DTXSID00598331;SHLAQNMUAQEQED-UHFFFAOYSA-N;AKOS013845559;DB-183052

Chemical Property of 3-[(3-Methoxyphenyl)methyl]cyclohexanone

Chemical Property:

• Vapor Pressure: 6.31E-05mmHg at 25°C
• Boiling Point: 345.1±15.0 °C(Predicted)
• Density: 1.063±0.06 g/cm3(Predicted)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 218.130679813
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

95% ^*data from raw suppliers

3-[(3-Methoxyphenyl)methyl]cyclohexanone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)CC2CCCC(=O)C2

Technology Process of 3-[(3-Methoxyphenyl)methyl]cyclohexanone

There total 1 articles about 3-[(3-Methoxyphenyl)methyl]cyclohexanone 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:

cyclohexenone (930-68-7) + 3-methoxybenzylmagnesium chloride (26905-40-8) → 3-(3-methoxybenzyl)cyclohexanone (171046-92-7)

Guidance literature:

With chloro-trimethyl-silane; In tetrahydrofuran; 1N-hydrochloric acid; ethyl acetate;

upstream raw materials:

cyclohexenone

3-methoxybenzylmagnesium chloride

Refernces