4,4-Diphenyl-2,5-cyclohexadien-1-one

Base Information

• Chemical Name: 4,4-Diphenyl-2,5-cyclohexadien-1-one
• CAS No.: 13304-12-6
• Molecular Formula: C18H14O
• Molecular Weight: 246.309
• Hs Code.: 2914399090
• European Community (EC) Number: 687-822-9
• NSC Number: 167348
• DSSTox Substance ID: DTXSID00304792
• Nikkaji Number: J142.912D
• Wikidata: Q82051000
• Mol file: 13304-12-6.mol

Synonyms:4,4-Diphenyl-2,5-cyclohexadien-1-one;13304-12-6;4,4-diphenylcyclohexa-2,5-dien-1-one;2,5-Cyclohexadien-1-one, 4,4-diphenyl-;NSC167348;2, 4,4-diphenyl-;4,4-diphenylcyclohexadienone;SCHEMBL5906264;DTXSID00304792;AKOS024323149;NSC-167348;4,4-diphenyl-cyclohexa-2,5-dien-1-one;4,4-Diphenyl-2,5-cyclohexadien-1-one #;4,4-DIPHENYL-CYCLOHEXA-2,5-DIENONE

Chemical Property of 4,4-Diphenyl-2,5-cyclohexadien-1-one

Chemical Property:

• Vapor Pressure: 2.28E-06mmHg at 25°C
• Boiling Point: 392.5°Cat760mmHg
• Flash Point: 171.6°C
• PSA: 17.07000
• Density: 1.138g/cm³
• LogP: 3.66780
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 246.104465066
• Heavy Atom Count: 19
• Complexity: 343

Purity/Quality:

98%min ^*data from raw suppliers

4,4-DIPHENYL-CYCLOHEXA-2,5-DIENONE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2(C=CC(=O)C=C2)C3=CC=CC=C3

Technology Process of 4,4-Diphenyl-2,5-cyclohexadien-1-one

There total 10 articles about 4,4-Diphenyl-2,5-cyclohexadien-1-one 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: 40.0%

4,4-diphenyl-2-cyclohexen-1-one (4528-64-7) → 4,4-diphenyl-2,5-cyclohexadien-1-one (13304-12-6)

Guidance literature:

With toluene-4-sulfonic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; for 72h; Heating;

DOI:10.1002/chem.200501417

Reference yield: 30.0%

1-isopropylidene-4,4-diphenyl-2,5-cyclohexadiene (60815-23-8) → 4,4-diphenyl-2,5-cyclohexadien-1-one (13304-12-6) + 1-methyl-1-(o-terphenyl-4'-yl)ethyl hydroperoxide (77218-85-0) + bis<1-methyl-1-(o-terphenyl-4'-yl)ethyl> peroxide (77218-86-1)

Guidance literature:

With oxygen; methylene blue; In chloroform; for 2.5h; Ambient temperature; Irradiation;

DOI:10.1246/bcsj.53.3279

Reference yield: 29.0%

3,3-dimethyl-7,7-diphenyl-1,2-dioxaspiro<3,5>nona-5,8-diene (60815-25-0) → 4,4-diphenyl-2,5-cyclohexadien-1-one (13304-12-6) + 1-methyl-1-(o-terphenyl-4'-yl)ethyl hydroperoxide (77218-85-0) + bis<1-methyl-1-(o-terphenyl-4'-yl)ethyl> peroxide (77218-86-1)

Guidance literature:

With hydrogenchloride; In diethyl ether; for 15h; Ambient temperature;

DOI:10.1246/bcsj.53.3279

upstream raw materials:

6-bromo-4,4-diphenylcyclohex-2-en-1-one

3,3-dimethyl-7,7-diphenyl-1,2-dioxaspiro<3,5>nona-5,8-diene

1-isopropylidene-4,4-diphenyl-2,5-cyclohexadiene

4,4-diphenylcarbena-2,5-cyclohexadiene

Downstream raw materials:

1-(1'-Phenylethyliden)-4,4-diphenylcyclohexadien-2,5

C₂₉H₂₈

1-Diphenylmethylen-4,4-diphenyl-2,5-cyclohexadien

1-isopropylidene-4,4-diphenyl-2,5-cyclohexadiene