(2,4-Difluorophenyl)(piperidin-4-yl)methanone oxime hydrochloride

Base Information

• Chemical Name: (2,4-Difluorophenyl)(piperidin-4-yl)methanone oxime hydrochloride
• CAS No.: 135634-18-3
• Molecular Formula: C12H14F2N2O^.HCl
• Molecular Weight: 276.714
• Hs Code.: 2933399090
• European Community (EC) Number: 603-927-4
• DSSTox Substance ID: DTXSID801335068
• Mol file: 135634-18-3.mol

Synonyms:135634-18-3;(2,4-Difluorophenyl)(piperidin-4-yl)methanone oxime hydrochloride;2,4-Difluorophenyl-(4-piperidinyl)methanone oxime hydrochloride;84163-46-2;(2,4-Difluorophenyl)-4-piperidylmethanone Oxime Hydrochloride;RISPERIDONE IMPURITY 28;MFCD11869788;(2,4-Difluorophenyl)(piperidin-4-yl)methanone oxime HCl;RISPERIDONEIMPURITY28;((2,4-Difluorophenyl)(piperidin-4-yl)methanone oxime hydrochloride;SCHEMBL1833471;CPVWKXXFKMUDPA-PXJKFVASSA-N;Methanone, (2,4-difluorophenyl)-4-piperidinyl-, oxime, hydrochloride (1:1), (1Z)-;DTXSID801335068;AKOS037643201;AS-10410;NS00078553;A886970;(1Z)-(2,4-Difluorophenyl)-4-piperidinylmethanone oxime hydrochloride (1:1);(NE)-N-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochloride;Methanone, (2,4-difluorophenyl)-4-piperidinyl-, oxime, hydrochloride (1:1)

Chemical Property of (2,4-Difluorophenyl)(piperidin-4-yl)methanone oxime hydrochloride

Chemical Property:

• Vapor Pressure: 1.48E-06mmHg at 25°C
• Boiling Point: 383.2°C at 760 mmHg
• Flash Point: 185.6°C
• PSA: 44.62000
• LogP: 3.27350
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 276.0840971
• Heavy Atom Count: 18
• Complexity: 280

Purity/Quality:

98%,99%, ^*data from raw suppliers

NH26248 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1C(=NO)C2=C(C=C(C=C2)F)F.Cl
• Isomeric SMILES: C1CNCCC1/C(=N\O)/C2=C(C=C(C=C2)F)F.Cl
• Uses: NH26248 is used in preparation of Iloperidone. Also, used in preparation of Amine derivatives as Potassium channel blockers useful in treatment and prevention of autoimmune and inflammatory diseases.

Technology Process of (2,4-Difluorophenyl)(piperidin-4-yl)methanone oxime hydrochloride

There total 5 articles about (2,4-Difluorophenyl)(piperidin-4-yl)methanone oxime 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: 96.0%

(2,4-Difluoro-phenyl)-piperidin-4-yl-methanone hydrochloride → (2,4-difluorophenyl)-piperidin-4-yl-methanone oxime hydrochloride (135634-18-3)

Guidance literature:

With 2-(N,N-dimethylamino)ethanol; hydroxylamine hydrochloride; In ethanol; at 20 ℃; for 3h; Reflux;

Reference yield:

isonipecotic acid (498-94-2) + 1,1-dichloroethane (75-34-3) + 1,3-Difluorobenzene (372-18-9) + N,N-diethylethylenediamine (100-36-7) + 1-[4-(2.4-Difluoro-benzoyl)-piperidin-1-yl]-ethanone (84162-82-3) → (2,4-difluorophenyl)-piperidin-4-yl-methanone oxime hydrochloride (135634-18-3)

Guidance literature:

With thionyl chloride; hydroxylamine hydrochloride; acetic anhydride; aluminium trichloride; In hydrogenchloride; ethanol;

Reference yield:

1-acetylpiperidine-4-carbonyl chloride (59084-16-1) → (2,4-difluorophenyl)-piperidin-4-yl-methanone oxime hydrochloride (135634-18-3)

Guidance literature:

Multi-step reaction with 3 steps

1: ammonium chloride / dichloromethane / 3 h / 20 °C / Reflux

2: hydrogenchloride / water / 5 h / Reflux

3: hydroxylamine hydrochloride; 2-(N,N-dimethylamino)ethanol / ethanol / 3 h / 20 °C / Reflux

With hydrogenchloride; 2-(N,N-dimethylamino)ethanol; hydroxylamine hydrochloride; ammonium chloride; In ethanol; dichloromethane; water;

upstream raw materials:

isonipecotic acid

1,1-dichloroethane

1,3-Difluorobenzene

N,N-diethylethylenediamine

Downstream raw materials:

6-fluoro-3-(4-piperidinyl)benzo[d]isoxazole

6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole hydrochloride

3-(2-{4-((2,4-difluorophenyl)hydroxyiminomethyl)piperidin-1-yl}ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one

1-(2,4-difluorophenyl)-1-(1-methylpiperidin-4-yl)methanamine

Refernces

• 1、 -. "Aralkylpiperidine (or piperazinecarboxylic) and its derivatives used for treating hypercalcemia schinzopherenia". Paragraph 0088. . Retrieved 2018/12/01.
• 2、 -. "1,2-benzisoxazole compounds". . . Retrieved 2008/06/13.