2-(2-Fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride

Base Information

• Chemical Name: 2-(2-Fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride
• CAS No.: 111982-49-1
• Molecular Formula: C13H16FNO.ClH
• Molecular Weight: 257.735
• DSSTox Substance ID: DTXSID101344989
• Mol file: 111982-49-1.mol

Synonyms:111982-49-1;2-(2-Fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride;2-FDCK;2-(2-fluorophenyl)-2-(methylamino)-cyclohexanone,monohydrochloride;DTXSID101344989;2-Fluoro Deschloroketamine hydrochloride;PD057661;2-(2-Fluorophenyl)-2-(methylamino)-cyclohexanone Hydrochloride;2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one hydrochloride

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Chemical Property of 2-(2-Fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 257.0982700
• Heavy Atom Count: 17
• Complexity: 269

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CNC1(CCCCC1=O)C2=CC=CC=C2F.Cl

Technology Process of 2-(2-Fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride

There total 5 articles about 2-(2-Fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride 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: 100.0%

(±)-2-(2-fluorophenyl)-2-(methylamino)cyclohexanone (111982-50-4) → 1-(2-fluorophenyl)-N-methyl-2-oxocyclohexanaminium chloride (111982-49-1)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 20 ℃;

Reference yield:

α-bromocyclopentyl-(2-fluorophenyl)ketone (1616657-67-0) → 1-(2-fluorophenyl)-N-methyl-2-oxocyclohexanaminium chloride (111982-49-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 6 h / -40 °C

2: palladium dichloride / decalin / 4 h / Reflux

3: hydrogenchloride / water; dichloromethane

With hydrogenchloride; palladium dichloride; In dichloromethane; water; decalin;

DOI:10.1080/00397911.2014.885053

Reference yield:

2-fluorobenzonitrile (394-47-8) → 1-(2-fluorophenyl)-N-methyl-2-oxocyclohexanaminium chloride (111982-49-1)

Guidance literature:

Multi-step reaction with 5 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

5.1: hydrogenchloride / water; dichloromethane

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

DOI:10.1080/00397911.2014.885053

upstream raw materials:

cyclopentyl(2-fluorophenyl)methanone

α-bromocyclopentyl-(2-fluorophenyl)ketone

(±)-2-(2-fluorophenyl)-2-(methylamino)cyclohexanone

2-fluorobenzonitrile