Ethanone, 2-cyclohexyl-1-(4-methoxyphenyl)-

Base Information

• Chemical Name: Ethanone, 2-cyclohexyl-1-(4-methoxyphenyl)-
• CAS No.: 58987-23-8
• Molecular Formula: C15H20O2
• Molecular Weight: 232.323
• DSSTox Substance ID: DTXSID00372779
• Nikkaji Number: J2.432.906B
• Wikidata: Q82160653
• Mol file: 58987-23-8.mol

Synonyms:Ethanone, 2-cyclohexyl-1-(4-methoxyphenyl)-;58987-23-8;DTXSID00372779;1-Methoxy-4-(cyclohexylacetyl)benzene;AKOS004905060

Chemical Property of Ethanone, 2-cyclohexyl-1-(4-methoxyphenyl)-

Chemical Property:

• PSA: 26.30000
• LogP: 3.84830
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 232.146329876
• Heavy Atom Count: 17
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)CC2CCCCC2

Technology Process of Ethanone, 2-cyclohexyl-1-(4-methoxyphenyl)-

There total 7 articles about Ethanone, 2-cyclohexyl-1-(4-methoxyphenyl)- 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: 89.0%

rac-1-(4-methoxyphenyl)-ethanol (3319-15-1) + cyclohexanol (108-93-0) → 2-cyclohexyl-1-(4-methoxyphenyl)ethan-1-one (58987-23-8)

Guidance literature:

With potassium tert-butylate; C₂₀H₂₀Cl₃N₇Ru*H₂O; In toluene; at 150 ℃; for 12h; Reagent/catalyst; Temperature; Sealed tube;

DOI:10.1021/acs.orglett.0c04098

Reference yield: 85.0%

Cyclohexylacetic acid (5292-21-7) + methoxybenzene (100-66-3) → 2-cyclohexyl-1-(4-methoxyphenyl)ethan-1-one (58987-23-8)

Guidance literature:

With PPA; at 70 - 80 ℃; for 4h;

Reference yield: 84.0%

1-(4-methoxyphenyl)ethanone (100-06-1) + cyclohexanol (108-93-0) → 2-cyclohexyl-1-(4-methoxyphenyl)ethan-1-one (58987-23-8)

Guidance literature:

With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate; In toluene; at 125 ℃; for 24h; Schlenk technique; Inert atmosphere; Glovebox;

DOI:10.1021/acs.orglett.0c02787

upstream raw materials:

methoxybenzene

cyclohexylacetic acid chloride

Cyclohexylacetic acid

4-Methoxystyrene

Downstream raw materials:

para-chloroacetophenone

(1R,6R,7R)-7-(4-Methoxy-phenyl)-bicyclo[4.2.0]octan-7-ol

(1S,6S,7R)-7-(4-Methoxy-phenyl)-bicyclo[4.2.0]octan-7-ol

cyclohexene