4-Fluorocyclohexanone

Base Information

• Chemical Name: 4-Fluorocyclohexanone
• CAS No.: 68223-64-3
• Molecular Formula: C6H9FO
• Molecular Weight: 116.135
• Hs Code.: 2914700090
• European Community (EC) Number: 807-574-9
• DSSTox Substance ID: DTXSID90475541
• Nikkaji Number: J966.424F
• Wikidata: Q72479583
• Mol file: 68223-64-3.mol

Synonyms:4-fluorocyclohexanone;68223-64-3;4-fluorocyclohexan-1-one;4-Fluoro-cyclohexanone;MFCD11520472;fluoro-4 cyclohexanone;SCHEMBL3236911;DTXSID90475541;RYFSAMIAUWCFNT-UHFFFAOYSA-N;AKOS006326013;SB12301;AS-30545;AM20070506;CS-0091730;FT-0685174;EN300-200106;A852874;J-515404;Benzenepropanoic acid, 3-hydroxy-4-methoxy-.alpha.-oxo-

Chemical Property of 4-Fluorocyclohexanone

Chemical Property:

• Vapor Pressure: 1.972mmHg at 25°C
• Refractive Index: 1.414
• Boiling Point: 164.385 °C at 760 mmHg
• Flash Point: 54.237 °C
• PSA: 17.07000
• Density: 1.037 g/cm³
• LogP: 1.46760
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 116.063743068
• Heavy Atom Count: 8
• Complexity: 90.7

Purity/Quality:

99% ^*data from raw suppliers

4-Fluorocyclohexanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)CCC1F
• Uses: 4-Fluorocyclohexanone is a reactant in the synthetic preparation of rapamycin.

Technology Process of 4-Fluorocyclohexanone

There total 11 articles about 4-Fluorocyclohexanone 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: 78.0%

8-fluoro-1,4-dioxaspiro[4.5]decane → 4-fluorocyclohexan-1-one (68223-64-3)

Guidance literature:

With hydrogenchloride; In water; at 100 ℃; for 8h;

Reference yield: 56.0%

cesium 2-((4-hydroxycyclohexyl)oxy)-2-oxoacetate → 4-fluorocyclohexan-1-one (68223-64-3)

Guidance literature:

With disodium hydrogenphosphate; Selectfluor; riboflavin; In water; acetonitrile; at 30 ℃; for 2h; Inert atmosphere; Sealed tube; Irradiation;

DOI:10.1016/j.tet.2019.05.043

Reference yield: 44.0%

4-fluorocyclohexan-1-ol (74058-19-8) → 4-fluorocyclohexan-1-one (68223-64-3)

Guidance literature:

With magnesium sulfate; pyridinium chlorochromate; In dichloromethane; at 25 ℃; for 2h; Inert atmosphere;

upstream raw materials:

4-hydroxycyclohexanone

4-fluorocyclohexan-1-ol

4-(benzyloxy)cyclohexan-1-ol

1,4-Cyclohexanediol

Downstream raw materials:

cis-4-fluorocyclohexanol

Refernces

• 1、 -. "Method for synthesizing 4-fluorocyclohexanone". . . Retrieved 2018/05/16.
• 2、 -. "Benzamide derivatives and uses related thereto". Page/Page column 52. . Retrieved 2008/06/13.