Cyclododecanone, 2-phenyl-

Base Information

• Chemical Name: Cyclododecanone, 2-phenyl-
• CAS No.: 50717-87-8
• Molecular Formula: C18H26O
• Molecular Weight: 258.404
• DSSTox Substance ID: DTXSID20482223
• Nikkaji Number: J1.469.867A
• Mol file: 50717-87-8.mol

Synonyms:Cyclododecanone, 2-phenyl-;2-Phenylcyclododecanone;50717-87-8;DTXSID20482223

Chemical Property of Cyclododecanone, 2-phenyl-

Chemical Property:

• Boiling Point: 394.1±21.0 °C(Predicted)
• PSA: 17.07000
• Density: 0.944±0.06 g/cm3(Predicted)
• LogP: 5.25390
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 258.198365449
• Heavy Atom Count: 19
• Complexity: 252

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCCCC(=O)C(CCCC1)C2=CC=CC=C2

Technology Process of Cyclododecanone, 2-phenyl-

There total 11 articles about Cyclododecanone, 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: 98.0%

Bicyclo[12.2.2]octadeca-13,15,17-trien-2-one (109318-90-3) → α-phenylcyclododecanone (50717-87-8) + (E)-12-Phenyl-dodec-11-enal (109318-82-3)

Guidance literature:

at 280 ℃; Product distribution; in the GC;

DOI:10.1016/S0040-4039(00)85035-2

Reference yield: 82.0%

2,12-dibromocyclododecanone (24459-40-3) → α-phenylcyclododecanone (50717-87-8)

Guidance literature:

In diethyl ether; hexane; at -78 - 25 ℃; for 0.5h;

DOI:10.1016/S0040-4039(00)85034-0

Reference yield:

cyclododecanone (830-13-7) → α-phenylcyclododecanone (50717-87-8)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂ / acetic acid

2: 82 percent / diethyl ether; hexane / 0.5 h / -78 - 25 °C

With bromine; In diethyl ether; hexane; acetic acid;

DOI:10.1016/S0040-4039(00)85034-0

upstream raw materials:

Bicyclo[12.2.2]octadeca-13,15,17-trien-2-one

2-Phenyl-cyclododecanol

phenyllithium

cyclododecanone

Downstream raw materials:

[12]paracyclophan-1-one

Bicyclo[12.2.2]octadeca-13,15,17-trien-2-one

13,13,13-Trichloro-12-phenyl-tridecanoyl chloride

(Z)-12-Phenyl-dodec-11-enal