2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine

Base Information

• Chemical Name: 2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine
• CAS No.: 122368-54-1
• Molecular Formula: C17H19ClN2O
• Molecular Weight: 302.804
• Hs Code.: 2933990090
• European Community (EC) Number: 696-012-4
• DSSTox Substance ID: DTXSID90456739
• Nikkaji Number: J1.641.092F
• Mol file: 122368-54-1.mol

Synonyms:122368-54-1;2-((4-chlorophenyl)(piperidin-4-yloxy)methyl)pyridine;2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine;Pyridine, 2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]-;2-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine;MFCD13184723;Pyridine,2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]-;4-[(4-chlorophenyl)-2-pyridylmethoxy]piperidine;SCHEMBL1499960;DTXSID90456739;OTZYADIPHOGUDN-UHFFFAOYSA-N;BCP12927;CS-B0347;AKOS015918327;SB41046;SB44353;AC-24024;AS-20124;SY103487;FT-0659219;C11183;Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine;A804882;2-[(4-Chlorophenyl)(4-piperidyloxy)methyl]pyridine;2-[4-Chloro-alpha-(4-piperidyloxy)benzyl]pyridine;(R,S)-4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidine;4-[1-(4-chlorophenyl)-1-(2-pyridyl)methoxy]piperidine;(+/-)-4-[(4-chlorophenyl)(2-pyridyl)-methoxy]piperidine;(+/-)-4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidine;2-[(S)-(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine;2-{(4-Chlorophenyl)[(piperidin-4-yl)oxy]methyl}pyridine

Chemical Property of 2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine

Chemical Property:

• Appearance/Colour: Brown Viscous liquid
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.601
• Boiling Point: 421.68 °C at 760 mmHg
• PKA: 9.71±0.10(Predicted)
• Flash Point: 208.825 °C
• PSA: 34.15000
• Density: 1.217 g/cm³
• LogP: 3.92180
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 302.1185909
• Heavy Atom Count: 21
• Complexity: 301

Purity/Quality:

2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3
• Uses: 2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine is an intermediate in the synthesis of Bepotastine besylate, a non-sedating H1-antagonist that has anti-inflammatory activity. 2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine is an intermediate in the synthesis of Bepotastine besylate (B317000), a non-sedating H1-antagonist that has anti-inflammatory activity.

Technology Process of 2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine

There total 13 articles about 2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine 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%

4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidine fumaric acid salt → 4-[(4-chlorophenyl)(pyridin-2-yl)methoxy]piperidine (122368-54-1,210095-55-9)

Guidance literature:

With sodium hydroxide; In dichloromethane; at 20 ℃; for 0.166667h;

DOI:10.5012/bkcs.2013.34.2.553

Reference yield: 97.3%

4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidine-1-carboxylic acid ethyl ester (207726-35-0) → 4-[(4-chlorophenyl)(pyridin-2-yl)methoxy]piperidine (122368-54-1,210095-55-9)

Guidance literature:

With ethanol; potassium hydroxide; for 12h; Reagent/catalyst; Reflux;

Reference yield: 94.0%

2-[(1-benzylpiperidin-4-yloxy)(4-chlorophenyl)methyl]pyridine → 4-[(4-chlorophenyl)(pyridin-2-yl)methoxy]piperidine (122368-54-1,210095-55-9)

Guidance literature:

With 5%-palladium/activated carbon; In methanol; at 30 ℃; for 4h; under 2068.65 Torr; Inert atmosphere; Autoclave;

DOI:10.1039/c5ob01479d

upstream raw materials:

(4-chlorophenyl)-2-pyridylmethanol

4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidine-1-carboxylic acid ethyl ester

N-acetyl-4-hydroxypiperidine

2-[chloro(4-chlorophenyl)methyl]pyridine

Downstream raw materials:

2-[4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-1-piperidyl]ethanol

(S)-bepotastine L-menthyl ester N-benzyloxycarbonyl-L-aspartate

(S)-4-{4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidino}butyric acid D-menthyl ester L-tartrate

(S)-4-[4-[(4-chlorophenyl)(2-pyridyl)methoxy]piperidino] butyric acid D-menthyl ester

Refernces

• 1、 -. "Total synthesis method of bestatin". . . Retrieved 2021/10/11.
• 2、 -. "Preparation method of 4-[(4-chlorphenyl) (2-pyridyl) methoxyl] piperidine". Paragraph 0027; 0028. . Retrieved 2017/02/09.