2-(4-Methoxyphenyl)cyclobutan-1-one

Base Information

• Chemical Name: 2-(4-Methoxyphenyl)cyclobutan-1-one
• CAS No.: 70106-27-3
• Molecular Formula: C11H12O2
• Molecular Weight: 176.215
• DSSTox Substance ID: DTXSID70506928
• Nikkaji Number: J1.585.918K
• Mol file: 70106-27-3.mol

Synonyms:2-(4-methoxyphenyl)cyclobutan-1-one;70106-27-3;2-(4-Methoxyphenyl)cyclobutanone;DTXSID70506928;AKOS026729055;CS-0261947;EN300-80619;F8889-7832

Chemical Property of 2-(4-Methoxyphenyl)cyclobutan-1-one

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 192

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2CCC2=O

Technology Process of 2-(4-Methoxyphenyl)cyclobutan-1-one

There total 9 articles about 2-(4-Methoxyphenyl)cyclobutan-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: 93.0%

4-methoxybenzylidenecyclopropane (55088-84-1) → 2-(4-methoxyphenyl)cyclobutan-1-one (70106-27-3)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.1021/acs.orglett.7b03707

Reference yield: 91.0%

4-methoxyphenyl(1-methoxycycloprop-1-yl)methanol (124708-62-9) → 2-(4-methoxyphenyl)cyclobutan-1-one (70106-27-3)

Guidance literature:

With 2,6-di-tert-butyl-4-methylpyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at -78 ℃; for 5h;

DOI:10.1016/S0040-4020(01)80120-4

Reference yield: 9.0%

1-(phenylthio)cyclopropyl-1-(4-methoxyphenyl)-methanol (144453-17-8) → 2-(4-methoxyphenyl)cyclobutan-1-one (70106-27-3)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; at 80 ℃; for 5h; Inert atmosphere;

DOI:10.1021/ol101136a

upstream raw materials:

4-methoxybenzylidenecyclopropane

1-(cyclopropylmethyl)-4-methoxybenzene

4-methoxyphenyl(1-methoxycycloprop-1-yl)methanol

4-(4-methoxyphenyl)but-3-yn-1-yl 4-methylbenzenesulfonate

Downstream raw materials:

(±)-2-(4-methoxyphenyl)cyclopentan-1-one

3-(4-methoxyphenyl)cyclopentanone

4-hydroxy-4-(4-methoxyphenyl)butanenitrile

1,1,2,2,3,3,4,4,4-Nonafluoro-butane-1-sulfonic acid 2-(4-methoxy-phenyl)-cyclobut-1-enyl ester