4-(4-Fluorophenyl)cyclohexanone

Base Information

• Chemical Name: 4-(4-Fluorophenyl)cyclohexanone
• CAS No.: 40503-86-4
• Molecular Formula: C12H13FO
• Molecular Weight: 192.233
• European Community (EC) Number: 826-888-7
• DSSTox Substance ID: DTXSID80511048
• Wikidata: Q72475777
• Mol file: 40503-86-4.mol

Synonyms:4-(4-FLUOROPHENYL)CYCLOHEXANONE;40503-86-4;4-(4-fluorophenyl)cyclohexan-1-one;Cyclohexanone, 4-(4-fluorophenyl)-;SCHEMBL745535;DTXSID80511048;4-(4-fluorophenyl)-cyclohexanone;KSQIGHIYGAPXCW-UHFFFAOYSA-N;AC6081;MFCD09743527;1-(4-Fluoro-phenyl)-4-cyclohexanone;AKOS006331302;CS-12352;SY047368;CS-0308692;EN300-127665;A914035;J-513518;Z1198221787

Chemical Property of 4-(4-Fluorophenyl)cyclohexanone

Chemical Property:

• Boiling Point: 292.32 °C at 760 mmHg
• Flash Point: 127.071 °C
• Density: 1.122 g/cm³
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 192.095043196
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

99% ^*data from raw suppliers

4-(4-fluorophenyl)cyclohexan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(=O)CCC1C2=CC=C(C=C2)F

Technology Process of 4-(4-Fluorophenyl)cyclohexanone

There total 13 articles about 4-(4-Fluorophenyl)cyclohexanone 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: 88.0%

4-(p-fluorophenyl)-3-cyclohexen-1-one (36716-73-1) → 1-(4-Fluoro-phenyl)-4-cyclohexanone (40503-86-4)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethyl acetate; for 1h; under 2585.81 Torr;

Reference yield: 87.0%

8-(4-Fluorophenyl)-1,4-dioxaspiro[4.5]decane (80912-56-7) → 1-(4-Fluoro-phenyl)-4-cyclohexanone (40503-86-4)

Guidance literature:

With hydrogenchloride; In methanol hydrate;

Reference yield:

4-(4-fluorophenyl)-4-hydroxy-cyclohexanone ethylene ketal (122770-39-2) → 1-(4-Fluoro-phenyl)-4-cyclohexanone (40503-86-4)

Guidance literature:

With hydrogenchloride; palladium; In 1,4-dioxane; dichloromethane; water;

upstream raw materials:

4-(4-fluorophenyl)-4-hydroxycyclohexanone

4-(p-fluorophenyl)-3-cyclohexen-1-one

1-(1,4-dioxa-spiro[4.5]dec-8-yl)-4-(4-fluoro-phenyl)-piperazine

8-(4-Fluorophenyl)-1,4-dioxaspiro[4.5]decane

Downstream raw materials:

2-(4-(4-fluorophenyl)cyclohexylidene)-1-(4-iodobenzyl)-1-phenylhydrazine

(S)-3-(4-fluorophenyl)-9-(4-iodobenzyl)-2,3,4,9-tetrahydro-1H-carbazole

5-(4-fluorophenyl)oxepan-2-one

Refernces

• 1、 Lan, Yu,Liu, Qiang,Liu, Shihan,Liu, Xufang,Rong, Xianle. "Cobalt-Catalyzed Desymmetric Isomerization of Exocyclic Olefins". supporting information. p. 20633 - 20639. Retrieved 2021/12/17.
• 2、 -. "NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES". Paragraph 0197; 0200. . Retrieved 2018/04/20.