Cyclooctanone, 2-phenyl-

Base Information

• Chemical Name: Cyclooctanone, 2-phenyl-
• CAS No.: 14996-79-3
• Molecular Formula: C14H18O
• Molecular Weight: 202.296
• DSSTox Substance ID: DTXSID10453008
• Nikkaji Number: J402.569E
• Mol file: 14996-79-3.mol

Synonyms:2-Phenylcyclooctanone;Cyclooctanone, 2-phenyl-;14996-79-3;SCHEMBL15660493;DTXSID10453008

Chemical Property of Cyclooctanone, 2-phenyl-

Chemical Property:

• Melting Point: 152-154 °C
• Boiling Point: 110-112 °C(Press: 0.31 Torr)
• PSA: 17.07000
• Density: 0.998±0.06 g/cm3(Predicted)
• LogP: 3.69350
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 202.135765193
• Heavy Atom Count: 15
• Complexity: 203

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCC(=O)C(CC1)C2=CC=CC=C2

Technology Process of Cyclooctanone, 2-phenyl-

There total 13 articles about Cyclooctanone, 2-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: 95.0%

1-(α-Brom-benzyl)-cycloheptanol-(1) (774118-95-5) → 2-phenylcyclooctan-1-one (14996-79-3)

Guidance literature:

With diethylzinc; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1021/jo800231s

Reference yield: 89.2%

phenyldiazomethane (908094-04-2) + cycloheptanone (502-42-1) → 2-phenylcyclooctan-1-one (14996-79-3)

Guidance literature:

cycloheptanone; With scandium tris(trifluoromethanesulfonate); In toluene; at -78 - 20 ℃; Inert atmosphere;

phenyldiazomethane; In toluene; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ol200402m

Reference yield: 89.0%

n-pentyl methyl ketone (110-43-0) + phenyldiazomethane (908094-04-2) → 2-phenylcyclooctan-1-one (14996-79-3)

Guidance literature:

With scandium tris(trifluoromethanesulfonate); In n-heptane; toluene; at 0 - 24 ℃; for 3h; Inert atmosphere; Sealed tube;

DOI:10.15227/ORGSYN.098.0343

upstream raw materials:

1-phenylcyclooct-1-ene

bromobenzene

cycloactanone

2-chlorocyclooctanone

Downstream raw materials:

8-oxo-8-phenyloctanoic acid

C₁₄H₁₉NO

9-phenylazonan-2-one

C₂₀H₂₅NO