Cyclohexanone, 2-(3-phenylpropyl)-

Base Information

• Chemical Name: Cyclohexanone, 2-(3-phenylpropyl)-
• CAS No.: 53045-12-8
• Molecular Formula: C15H20O
• Molecular Weight: 216.323
• DSSTox Substance ID: DTXSID10474117
• Mol file: 53045-12-8.mol

Synonyms:Cyclohexanone, 2-(3-phenylpropyl)-;53045-12-8;SCHEMBL5593717;DTXSID10474117;AKOS010746018

Chemical Property of Cyclohexanone, 2-(3-phenylpropyl)-

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 216.151415257
• Heavy Atom Count: 16
• Complexity: 216

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(=O)C(C1)CCCC2=CC=CC=C2

Technology Process of Cyclohexanone, 2-(3-phenylpropyl)-

There total 9 articles about Cyclohexanone, 2-(3-phenylpropyl)- 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: 82.0%

3-Phenylpropan-1-amine (2038-57-5) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 2-(3-phenylpropyl)cyclohexanone (53045-12-8)

Guidance literature:

With o-tetrachloroquinone; [(C₆H₆)(PCy₃)(CO)RuH]⁺*BF₄^?; In 1,4-dioxane; at 130 ℃; for 16h; regioselective reaction; Glovebox; Schlenk technique;

DOI:10.1021/acscatal.1c04732

Reference yield: 56.0%

(E)-9-phenyl-6-nonenal → 2-(3-phenylpropyl)cyclohexanone (53045-12-8)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); 2,3,3,4,4,5-hexamethyl-2-hexanethiol; In toluene; for 24h; Heating;

DOI:10.1021/jo048275a

Reference yield: 35.0%

2-[(2-bromophenyl)propyl]cyclohexanone (198987-34-7) → 2-(3-phenylpropyl)cyclohexanone (53045-12-8) + 3',4'-dihydrospiro[cyclohexane-1,1'(2H)naphthalen]-2-one

Guidance literature:

With caesium carbonate; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; at 100 ℃; for 14h;

DOI:10.1016/S0040-4039(97)01787-5

upstream raw materials:

2-Cinnamylidenecyclohexanone

2-[(2-bromophenyl)propyl]cyclohexanone

N'-cyclohexylidene-N,N-dimethyl-hydrazine

1-iodo-3-phenylpropan

Downstream raw materials:

2-(2,2-Dimethoxy-acetyl)-6-(3-phenyl-propyl)-cyclohexanone

2-(3'-bromo-3'-phenylpropyl)cyclohexanone

2-(3'-azido-3'-phenylpropyl)cyclohexanone

2-(4-Fluoro-phenyl)-7-(3-phenyl-propyl)-4,5,6,7-tetrahydro-2H-indazole-3-carbaldehyde