Cyclopentyl 3-methoxyphenyl ketone

Base Information

• Chemical Name: Cyclopentyl 3-methoxyphenyl ketone
• CAS No.: 339549-67-6
• Molecular Formula: C13H16O2
• Molecular Weight: 204.269
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID30481924
• Wikidata: Q72460475
• Mol file: 339549-67-6.mol

Synonyms:CYCLOPENTYL 3-METHOXYPHENYL KETONE;339549-67-6;cyclopentyl-(3-methoxyphenyl)methanone;cyclopentyl(3-methoxyphenyl)methanone;MFCD03841295;SCHEMBL18360283;DTXSID30481924;AKOS010015922;CYCLOPENTYL3-METHOXYPHENYLKETONE;CS-0361239

Chemical Property of Cyclopentyl 3-methoxyphenyl ketone

Chemical Property:

• Vapor Pressure: 0.000553mmHg at 25°C
• Boiling Point: 311.7°C at 760 mmHg
• Flash Point: 133.4°C
• PSA: 26.30000
• Density: 1.076
• LogP: 3.06810
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 204.115029749
• Heavy Atom Count: 15
• Complexity: 219

Purity/Quality:

98% ^*data from raw suppliers

Cyclopentyl3-methoxyphenylketone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C(=O)C2CCCC2

Technology Process of Cyclopentyl 3-methoxyphenyl ketone

There total 7 articles about Cyclopentyl 3-methoxyphenyl ketone 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: 51.0%

3-methoxybenzonitrile (1527-89-5) + cyclopentylmagnesium bromide (33240-34-5) → (m-methoxyphenyl)cyclopentyl ketone (339549-67-6)

Guidance literature:

In diethyl ether; at 0 - 20 ℃; for 6h; Inert atmosphere;

DOI:10.1039/d0nj05192f

Reference yield: 36.0%

C14H19BrO5S → (m-methoxyphenyl)cyclopentyl ketone (339549-67-6)

Guidance literature:

With samarium diiodide; In tetrahydrofuran; at 23 ℃; Inert atmosphere;

DOI:10.1002/ejoc.201800102

Reference yield:

C13H17BrO3 → (m-methoxyphenyl)cyclopentyl ketone (339549-67-6)

Guidance literature:

Multi-step reaction with 2 steps

1: trimethylamine / dichloromethane / 1 h / 0 °C / Inert atmosphere

2: samarium diiodide / tetrahydrofuran / 23 °C / Inert atmosphere

With samarium diiodide; trimethylamine; In tetrahydrofuran; dichloromethane;

DOI:10.1002/ejoc.201800102

upstream raw materials:

3-methoxybenzonitrile

cyclopentylmagnesium bromide

Cyclopentyl bromide

hexahydro-2H-oxepin-2-one

Downstream raw materials:

(±)-2-(3-methoxyphenyl)-2-(ethylamino)cyclohexanone

(R)-(-)-methoxetamine hydrochloride