Cyclohexyl 2-(3-methoxyphenyl)ethyl ketone

Base Information

• Chemical Name: Cyclohexyl 2-(3-methoxyphenyl)ethyl ketone
• CAS No.: 175234-19-2
• Molecular Formula: C₁₆H₂₂O₂
• Molecular Weight: 246.349
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID00442502
• Mol file: 175234-19-2.mol

Synonyms:CYCLOHEXYL 2-(3-METHOXYPHENYL)ETHYL KETONE;175234-19-2;1-cyclohexyl-3-(3-methoxyphenyl)propan-1-one;MFCD03843146;DTXSID00442502;AKOS016021547;CYCLOHEXYL2-(3-METHOXYPHENYL)ETHYLKETONE

Chemical Property of Cyclohexyl 2-(3-methoxyphenyl)ethyl ketone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 366.988°C at 760 mmHg
• Flash Point: 153°C
• PSA: 26.30000
• Density: 1.031g/cm³
• LogP: 3.77720
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 246.161979940
• Heavy Atom Count: 18
• Complexity: 256

Purity/Quality:

97% ^*data from raw suppliers

Cyclohexyl2-(3-methoxyphenyl)ethylketone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)CCC(=O)C2CCCCC2

Technology Process of Cyclohexyl 2-(3-methoxyphenyl)ethyl ketone

There total 4 articles about Cyclohexyl 2-(3-methoxyphenyl)ethyl 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: 44.0%

1-cyclohexyl-3-(m-methoxyphenyl)-1-propanol → 1-cyclohexyl-3-(m-methoxyphenyl)-1-propanone (175234-19-2)

Guidance literature:

With dipyridinium dichromate; In dichloromethane;

DOI:10.1021/jo951945f

Reference yield: 42.0%

1-(m-methoxyphenyl)-cis-3,4-epoxy-8-nonene → 1-cyclohexyl-3-(m-methoxyphenyl)-1-propanone (175234-19-2) + 1-(m-methoxyphenethyl)cyclohexanecarbaldehyde + 4-(4-penten-1-yl)-5-methoxy-1,2-dihydro-2-naphthalene + 1-(4-penten-1-yl)-6-methoxy-1,2,3,4-tetrahydro-2-naphthol

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; for 3.5h; Ambient temperature;

DOI:10.1021/jo951945f

Reference yield:

2-(3-methoxyphenyl)-ethylmagnesium bromide (125159-92-4) → 1-cyclohexyl-3-(m-methoxyphenyl)-1-propanone (175234-19-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 64 percent / diethyl ether; tetrahydrofuran

2: 44 percent / pyridinium dichromate / CH₂Cl₂

With dipyridinium dichromate; In tetrahydrofuran; diethyl ether; dichloromethane;

DOI:10.1021/jo951945f

upstream raw materials:

2-(3-methoxyphenyl)-ethylmagnesium bromide

cyclohexanecarbaldehyde

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