Cyclobutyl 4-methoxyphenyl ketone

Base Information

• Chemical Name: Cyclobutyl 4-methoxyphenyl ketone
• CAS No.: 100121-80-0
• Molecular Formula: C12H14O2
• Molecular Weight: 190.24
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID20550315
• Wikidata: Q82429591
• Mol file: 100121-80-0.mol

Synonyms:CYCLOBUTYL 4-METHOXYPHENYL KETONE;100121-80-0;Cyclobutyl(4-methoxyphenyl)methanone;cyclobutyl-(4-methoxyphenyl)methanone;MFCD03841250;Methanone, cyclobutyl(4-methoxyphenyl)-;SCHEMBL3367257;DTXSID20550315;ZFYOOJLCJQTVHL-UHFFFAOYSA-N;CYCLOBUTYL4-METHOXYPHENYLKETONE;AKOS009347498;Cyclobutyl-(4-methoxy-phenyl)-methanone;EN300-658889

Chemical Property of Cyclobutyl 4-methoxyphenyl ketone

Chemical Property:

• Vapor Pressure: 0.00032mmHg at 25°C
• Boiling Point: 320.3°C at 760 mmHg
• Flash Point: 145.4°C
• PSA: 26.30000
• Density: 1.106g/cm³
• LogP: 2.67800
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

97% ^*data from raw suppliers

Cyclobutyl4-methoxyphenylketone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Cyclobutyl 4-methoxyphenyl ketone

There total 3 articles about Cyclobutyl 4-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:

methoxybenzene (100-66-3) + Cyclobutanecarbonyl chloride (5006-22-4) → Cyclobutyl-(4-methoxy-phenyl)-methanone (100121-80-0)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 0 - 20 ℃; for 0.5h;

DOI:10.1002/anie.201902315

Reference yield:

Cyclobutanecarboxylic acid (3721-95-7) → Cyclobutyl-(4-methoxy-phenyl)-methanone (100121-80-0)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / dichloromethane / 6 h / Reflux

2: aluminum (III) chloride / dichloromethane / 0.5 h / 0 - 20 °C

With aluminum (III) chloride; thionyl chloride; In dichloromethane;

DOI:10.1002/anie.201902315

Reference yield:

→ Cyclobutyl-(4-methoxy-phenyl)-methanone (100121-80-0)

Guidance literature:

Cyclobutylcyanid, 1.) 4-Methoxy-phenylmagnesiumbromid, 2.) wss. HCl, (Erhitzen);

upstream raw materials:

methoxybenzene

Cyclobutanecarbonyl chloride

Cyclobutanecarboxylic acid

Downstream raw materials:

Cyclobutyl-(4-methoxy-phenyl)-pyrimidin-5-yl-methanol

1‐(cyclobutylmethyl)‐4‐methoxybenzene

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