1-(1-Phenylcyclopentyl)ethan-1-one

Base Information

• Chemical Name: 1-(1-Phenylcyclopentyl)ethan-1-one
• CAS No.: 4046-09-7
• Molecular Formula: C13H16O
• Molecular Weight: 188.269
• European Community (EC) Number: 824-077-2
• Mol file: 4046-09-7.mol

Synonyms:1-(1-phenylcyclopentyl)ethan-1-one;1-(1-phenylcyclopentyl)ethanone;4046-09-7;SCHEMBL3737199;AKOS012379938;EN300-141847;Z1082545842

Chemical Property of 1-(1-Phenylcyclopentyl)ethan-1-one

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 188.120115130
• Heavy Atom Count: 14
• Complexity: 207

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1(CCCC1)C2=CC=CC=C2

Technology Process of 1-(1-Phenylcyclopentyl)ethan-1-one

There total 9 articles about 1-(1-Phenylcyclopentyl)ethan-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: 67.0%

1-phenyl-1-cyclopentanecarboxylic acid (77-55-4) + methyllithium (917-54-4) → 1-(1-phenylcyclopentyl)ethan-1-one (4046-09-7)

Guidance literature:

In diethyl ether; 1.) 0 deg C; 2.) 2 h, reflux;

Reference yield: 63.0%

1,4-dibromo-butane (110-52-1) + 1-phenyl-acetone (103-79-7,136675-26-8) → 1-(1-phenylcyclopentyl)ethan-1-one (4046-09-7) + 7-bromo-3-phenyl-2-heptanone

Guidance literature:

With sodium hydroxide; 5,11,17,23-tetramethoxy-25,26,27,28-tetrakis(trimethylammoniomethyl)calix<4>arene tetrachloride; at 100 ℃; for 10h;

DOI:10.1002/1615-4169(200206)344:3/4<370::AID-ADSC370>3.0.CO;2-3

Reference yield:

β-oxo-1-phenylcyclopentanepropanoic acid ethyl ester (154382-30-6) → 1-(1-phenylcyclopentyl)ethan-1-one (4046-09-7)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In xylene; for 5h; Heating;

DOI:10.1021/jm00072a014

upstream raw materials:

methyl magnesium iodide

1-phenyl-1-cyclopentanecarbonitrile

1,4-dibromo-butane

1-phenyl-acetone

Downstream raw materials:

1-(1-phenyl-cyclopentyl)-ethanol

1-Phenylcyclopentylmethylketoxim-pikrat

1-Phenylcyclopentylmethylketoxim

cyclopentylbenzene