Fluoroketamine

Base Information

• Chemical Name: Fluoroketamine
• CAS No.: 111982-50-4
• Molecular Formula: C13H16FNO
• Molecular Weight: 221.275
• UNII: D57WIH0RIT
• DSSTox Substance ID: DTXSID001018395
• Wikipedia: 2-Fluorodeschloroketamine
• Mol file: 111982-50-4.mol

Synonyms:2-fluorodeschloroketamine

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Chemical Property of Fluoroketamine

Chemical Property:

• Appearance/Colour: Brown oily liquid
• Boiling Point: 333.6±42.0 °C(Predicted)
• PKA: 6.51±0.20(Predicted)
• PSA: 29.10000
• Density: 1.12±0.1 g/cm3(Predicted)
• LogP: 2.77440
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 221.121592296
• Heavy Atom Count: 16
• Complexity: 269

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1(CCCCC1=O)C2=CC=CC=C2F
• Uses: 2-(2-Fluorophenyl)-2-(methylamino)-cyclohexanone is a related compound of Ketamine (K165300), an anesthetic. 2-Fluorodeschloroketamine (also known as 2'-Fl-2-Oxo-PCM, Fluoroketamine and 2-FDCK) is a dissociative anesthetic related to ketamine. Its sale and use as a designer drug has been reported in various countries. It is an analogue of ketamine where the chlorine group has been replaced by fluorine. Due to its recent emergence, the pharmocological specifics of the compound are mostly unclear.

Technology Process of Fluoroketamine

There total 4 articles about Fluoroketamine 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: 53.0%

α-hydroxycyclopentyl-(2-flourophenyl)-N-methylamine (111982-48-0) → (±)-2-(2-fluorophenyl)-2-(methylamino)cyclohexanone (111982-50-4)

Guidance literature:

With palladium dichloride; In decalin; for 4h; Solvent; Temperature; Reagent/catalyst; Time; Reflux;

DOI:10.1080/00397911.2014.885053

Reference yield:

2-fluorobenzonitrile (394-47-8) → (±)-2-(2-fluorophenyl)-2-(methylamino)cyclohexanone (111982-50-4)

Guidance literature:

Multi-step reaction with 4 steps

1.1: iodine; magnesium / tetrahydrofuran / 20 °C / Reflux

1.2: 4 h / Inert atmosphere; Reflux

1.3: 4 h

2.1: hydrogen bromide / water / 0.08 h / 20 °C / Darkness

2.2: 0.02 h / 20 °C / Darkness

2.3: 1.5 h / 70 °C / Darkness

3.1: 6 h / -40 °C

4.1: palladium dichloride / decalin / 4 h / Reflux

With hydrogen bromide; iodine; magnesium; palladium dichloride; In tetrahydrofuran; water; decalin;

DOI:10.1080/00397911.2014.885053

Reference yield:

cyclopentyl(2-fluorophenyl)methanone (111982-45-7) → (±)-2-(2-fluorophenyl)-2-(methylamino)cyclohexanone (111982-50-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: hydrogen bromide / water / 0.08 h / 20 °C / Darkness

1.2: 0.02 h / 20 °C / Darkness

1.3: 1.5 h / 70 °C / Darkness

2.1: 6 h / -40 °C

3.1: palladium dichloride / decalin / 4 h / Reflux

With hydrogen bromide; palladium dichloride; In water; decalin;

DOI:10.1080/00397911.2014.885053

upstream raw materials:

cyclopentyl(2-fluorophenyl)methanone

α-bromocyclopentyl-(2-fluorophenyl)ketone

α-hydroxycyclopentyl-(2-flourophenyl)-N-methylamine

2-fluorobenzonitrile

Downstream raw materials:

1-(2-fluorophenyl)-N-methyl-2-oxocyclohexanaminium chloride

formaldehyd

Refernces

• 1、 Moghimi, Abolghasem,Rahmani, Siyavash,Zare, Reza,Sadeghzadeh, Morteza. "Synthesis of 2-(2-fluorophenyl)-2-methylamino-cyclohexanone as a new ketamine derivative". . p. 2021 - 2028. Retrieved 2014/07/07.