2-Fluorocyclohexanone

Base Information

• Chemical Name: 2-Fluorocyclohexanone
• CAS No.: 694-82-6
• Molecular Formula: C6H9FO
• Molecular Weight: 116.135
• Hs Code.: 2914700090
• European Community (EC) Number: 677-407-0
• DSSTox Substance ID: DTXSID60473958
• Nikkaji Number: J417.597B
• Mol file: 694-82-6.mol

Synonyms:2-fluorocyclohexanone;694-82-6;2-fluorocyclohexan-1-one;MFCD01076476;cyclohexanone, 2-fluoro-;C6H9FO;2-fluorocylcohexanone;alpha-Fluorocyclohexanone;2-fluoro-cyclohexan-1-one;2-Fluorocyclohexanone, 97%;SCHEMBL611774;DTXSID60473958;VQYOFTVCYSPHPG-UHFFFAOYSA-N;AMY42368;AKOS005255258;GS-3536;MB01688;CS-0040502;F0510;FT-0677617;EN300-336013;W17462

Chemical Property of 2-Fluorocyclohexanone

Chemical Property:

• Vapor Pressure: 3.808mmHg at 25°C
• Refractive Index: 1.4440
• Boiling Point: 110 °C
• Flash Point: 78°C/17mm
• PSA: 17.07000
• Density: 1.08
• LogP: 1.46760
• Storage Temp.: ?20°C
• Sensitive.: Moisture Sensitive
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 116.063743068
• Heavy Atom Count: 8
• Complexity: 101

Purity/Quality:

97% ^*data from raw suppliers

2-Fluorocyclohexanone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22-36-43-52/53
• Safety Statements: 26-36/37-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(=O)C(C1)F

Technology Process of 2-Fluorocyclohexanone

There total 49 articles about 2-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: 99.0%

(2R,6R)-2-(t-butyldimethylsilyl)-6-fluorocyclohexanone (200118-15-6) → (R)-(+)-2-fluorocyclohexanone (694-82-6)

Guidance literature:

With ammonium fluoride; potassium dihydrogenphosphate; hydrogen fluoride; tetrabutyl ammonium fluoride; In tetrahydrofuran; at -78 - 20 ℃;

DOI:10.1002/anie.199723621

Reference yield: 98.3%

2-fluoro-cyclohexanol (14365-32-3,20421-48-1,75024-00-9,656-60-0) → 2-fluorocyclohexanone (694-82-6)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane;

DOI:10.1016/j.polymer.2011.10.020

Reference yield: 92.0%

1-(Trimethylsilyloxy)cyclohexene (6651-36-1) → 2-fluorocyclohexanone (694-82-6)

Guidance literature:

With xenon difluoride; In acetonitrile; at 20 ℃; for 1h;

DOI:10.1021/ol990231e

upstream raw materials:

1-ethoxycyclohexene

2-fluoro-cyclohexanol

1-fluoro-2-oxocyclohexanecarboxylic acid ethyl ester

α-Fluor-cyclohexanon-cyanhydrin

Downstream raw materials:

trans-2-Fluor-6-brom-cyclohexanon

(R,S)-6-fluoro-2,2,3,3-tetramethyl-1,4-dioxaspiro<4.5>decane

(Z)-2-fluorocyclohexanone (S)-(-)-(1-methoxy-3-phenylprop-2-yl)imine

(E)-2-fluorocyclohexanone (S)-(-)-(1-methoxy-3-phenylprop-2-yl)imine