Cyclobutyl(2-ethylphenyl)methanone

Base Information

• Chemical Name: Cyclobutyl(2-ethylphenyl)methanone
• CAS No.: 874009-12-8
• Molecular Formula: C₁₃H₁₆O
• Molecular Weight: 188.269
• DSSTox Substance ID: DTXSID30700304
• Wikidata: Q82631571
• Mol file: 874009-12-8.mol

Synonyms:Cyclobutyl(2-ethylphenyl)methanone;cyclobutyl-2-phenethyl ketone;DTXSID30700304

Chemical Property of Cyclobutyl(2-ethylphenyl)methanone

Chemical Property:

• Vapor Pressure: 0.00194mmHg at 25°C
• Boiling Point: 291.5°C at 760 mmHg
• Flash Point: 120.9°C
• PSA: 17.07000
• Density: 1.049g/cm³
• LogP: 2.98840
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 188.120115130
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

97% ^*data from raw suppliers

Cyclobutyl2-phenethylketone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=CC=C1C(=O)C2CCC2

Technology Process of Cyclobutyl(2-ethylphenyl)methanone

There total 4 articles about Cyclobutyl(2-ethylphenyl)methanone 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: 70.0%

potassium cyclobutyltrifluoroboranuide (1065010-88-9) + hydrocinnamic acid chloride (645-45-4) → 1-cyclobutyl-3-phenylpropan-1-one (874009-12-8)

Guidance literature:

With potassium fluoride; (1,2-dimethoxyethane)dichloronickel(II); Ir(dF(CF₃)ppy)2(bpy)PF₆; 4,4'-di-tert-butyl-2,2'-bipyridine; In 1,2-dimethoxyethane; at 24 ℃; for 24h; Inert atmosphere; Sealed tube; Irradiation;

DOI:10.1021/acs.joc.6b02897

Reference yield: 64.0%

1-cyclobutylethanone (3019-25-8) + benzyl alcohol (100-51-6,185532-71-2) → 1-cyclobutyl-3-phenylpropan-1-one (874009-12-8)

Guidance literature:

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; triphenylphosphine; potassium hydroxide; at 100 ℃; for 17h; Inert atmosphere; Sealed tube;

DOI:10.1016/j.tet.2021.132051

Reference yield:

→ 1-cyclobutyl-3-phenylpropan-1-one (874009-12-8)

Guidance literature:

ueber 2-Benzyl-3-cyclobutyl-3-oxo-propionsaeure-methylester;

upstream raw materials:

potassium cyclobutyltrifluoroboranuide

hydrocinnamic acid chloride

1-cyclobutylethanone

benzyl alcohol

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