1-Propanone, 3-cyclohexyl-1-phenyl-

Base Information

• Chemical Name: 1-Propanone, 3-cyclohexyl-1-phenyl-
• CAS No.: 28861-24-7
• Molecular Formula: C15H20O
• Molecular Weight: 216.323
• DSSTox Substance ID: DTXSID80454683
• Nikkaji Number: J1.317.304D
• Wikidata: Q82276353
• Mol file: 28861-24-7.mol

Synonyms:1-Propanone, 3-cyclohexyl-1-phenyl-;beta-Cyclohexylpropiophenone;28861-24-7;SCHEMBL2443481;DTXSID80454683

Chemical Property of 1-Propanone, 3-cyclohexyl-1-phenyl-

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 216.151415257
• Heavy Atom Count: 16
• Complexity: 210

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)CCC(=O)C2=CC=CC=C2

Technology Process of 1-Propanone, 3-cyclohexyl-1-phenyl-

There total 25 articles about 1-Propanone, 3-cyclohexyl-1-phenyl- 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: 90.0%

benzoic acid phenyl ester (93-99-2) + 9-(2-cyclohexyl-ethyl)-9-bora-bicyclo[3.3.1]nonane (570401-05-7) → 3-cyclohexyl-1-phenylpropan-1-one (28861-24-7)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; caesium carbonate; tricyclohexylphosphine; In toluene; for 10h; chemoselective reaction; Sealed tube; Glovebox; Heating;

DOI:10.1021/jacs.7b12865

Reference yield: 87.0%

acetophenone (98-86-2) + cyclohexylmethyl alcohol (100-49-2) → 3-cyclohexyl-1-phenylpropan-1-one (28861-24-7)

Guidance literature:

With C₂₆H₂₈ClIrN₄O; potassium hydroxide; In toluene; at 130 ℃; for 0.5h;

DOI:10.1002/chem.202101360

Reference yield: 86.0%

1-Phenylethanol (98-85-1,13323-81-4) + cyclohexylmethyl alcohol (100-49-2) → 3-cyclohexyl-1-phenylpropan-1-one (28861-24-7)

Guidance literature:

1-Phenylethanol; With Cp*Ir(6,6'-dionato-2,2'-bipyridine)(H₂O); In tert-Amyl alcohol; at 20 ℃; for 6h; Reflux;

cyclohexylmethyl alcohol; With caesium carbonate; In tert-Amyl alcohol; for 6h; Reflux;

upstream raw materials:

3-cyclohexylpropionyl chloride

Phenyl vinyl ketone

cyclohexene

vinylcyclohexane

Downstream raw materials:

2-amino-5-(cyclohexylmethyl)-4-phenylthiophene-3-carboxylic acid ethyl ester