2-[(4-Methoxyphenyl)methyl]cyclohexan-1-one

Base Information

• Chemical Name: 2-[(4-Methoxyphenyl)methyl]cyclohexan-1-one
• CAS No.: 37722-64-8
• Molecular Formula: C14H18O2
• Molecular Weight: 218.296
• DSSTox Substance ID: DTXSID80515526
• Nikkaji Number: J2.832.790K
• Mol file: 37722-64-8.mol

Synonyms:37722-64-8;2-[(4-methoxyphenyl)methyl]cyclohexan-1-one;SCHEMBL7372634;DTXSID80515526;2-(4-methoxybenzyl)-1-cyclohexanone;AKOS017561343

Chemical Property of 2-[(4-Methoxyphenyl)methyl]cyclohexan-1-one

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 218.130679813
• Heavy Atom Count: 16
• Complexity: 229

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CC2CCCCC2=O

Technology Process of 2-[(4-Methoxyphenyl)methyl]cyclohexan-1-one

There total 9 articles about 2-[(4-Methoxyphenyl)methyl]cyclohexan-1-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: 85.0%

1-(Trimethylsilyloxy)cyclohexene (6651-36-1) + p-methoxybenzyl acetate (104-21-2) → 2-(4-methoxybenzyl)cyclohexan-1-one (37722-64-8)

Guidance literature:

With bis(trifluoromethanesulfonyl)amide; In dichloromethane; at 20 ℃; for 0.333333h; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.03.030

Reference yield: 76.0%

C15H21NO2 → 2-(4-methoxybenzyl)cyclohexan-1-one (37722-64-8)

Guidance literature:

With hydrogenchloride; formaldehyd; In tetrahydrofuran; at 20 ℃; for 5h;

DOI:10.1039/c5sc03903g

Reference yield: 54.0%

1-bromo-4-methoxy-benzene (104-92-7) + (1R,6R)-1-Hydroxybicyclo<4.1.0>heptane → 2-(4-methoxybenzyl)cyclohexan-1-one (37722-64-8) + 3-(p-methoxyphenyl)cycloheptanone (108062-25-5)

Guidance literature:

(1R,6R)-1-Hydroxybicyclo<4.1.0>heptane; With potassium phosphate; palladium diacetate; 1,4-di(diphenylphosphino)-butane; In toluene; at 20 ℃; for 0.25h; Inert atmosphere;

1-bromo-4-methoxy-benzene; In toluene; at 80 ℃; Inert atmosphere;

DOI:10.1039/c3cc42080a

upstream raw materials:

2-(4-methoxybenzylidene)cyclohexanone

1-(1-Cyclohexen-1-yl)pyrrolidine

p-Methoxybenzyl bromide

cyclohexanone

Downstream raw materials:

2-(2,2-Dimethoxy-acetyl)-6-(4-methoxy-benzyl)-cyclohexanone

1-ethynyl-2-(4-methoxy-benzyl)-cyclohexanol

2-(4-Hydroxybenzyl)-1-cyclohexanone

(+/-)-cis-2-(4-methoxybenzyl)cyclohexan-1-ol