4-(4-Chlorophenoxy)piperidine hydrochloride

Base Information

• Chemical Name: 4-(4-Chlorophenoxy)piperidine hydrochloride
• CAS No.: 63843-53-8
• Molecular Formula: C11H15Cl2NO
• Molecular Weight: 248.152
• Hs Code.: 2933399090
• European Community (EC) Number: 853-490-0
• DSSTox Substance ID: DTXSID90589990
• Mol file: 63843-53-8.mol

Synonyms:4-(4-Chlorophenoxy)piperidine hydrochloride;63843-53-8;4-(4-Chloro-phenoxy)-piperidine hydrochloride;4-(4-Chlorophenoxy)piperidine HCl;4-(4-chlorophenoxy)piperidine;hydrochloride;4-(4-Chlorophenoxy)piperidine, HCl;4-(3,4-Dichlorophenoxy)piperidine, HCl;Piperidine, 4-(4-chlorophenoxy)-, hydrochloride;SCHEMBL1808272;DTXSID90589990;LELTYNIPRLOYCM-UHFFFAOYSA-N;AR1769;MFCD03840125;AKOS015846506;PS-7505;SB18250;4-(p-chlorophenoxy)piperidine hydrochloride;DB-006542;DB-014357;4-(4-chlorophenoxyl)piperidine hydrochloride;CS-0088066;EN300-2009122;A868012;Piperidine,4-(4-chlorophenoxy)-,hydrochloride(1:1);4-(4-Chlorophenoxy)piperidine--hydrogen chloride (1/1);Z3234813379

Chemical Property of 4-(4-Chlorophenoxy)piperidine hydrochloride

Chemical Property:

• Vapor Pressure: 4.42E-05mmHg at 25°C
• Boiling Point: 345.2 °C at 760 mmHg
• Flash Point: 162.6 °C
• PSA: 21.26000
• LogP: 3.60160
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 247.0530695
• Heavy Atom Count: 15
• Complexity: 163

Purity/Quality:

98%Min ^*data from raw suppliers

4-(4-Chlorophenoxy)piperidineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36-52
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1OC2=CC=C(C=C2)Cl.Cl

Technology Process of 4-(4-Chlorophenoxy)piperidine hydrochloride

There total 4 articles about 4-(4-Chlorophenoxy)piperidine 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: 83.2%

4-HYDROXYPIPERIDINE (5382-16-1) + 1-Chloro-4-fluorobenzene (352-33-0) → 4-(4-chlorophenoxy)piperidine hydrochloride (63843-53-8)

Guidance literature:

4-HYDROXYPIPERIDINE; With potassium tert-butylate; In 1-methyl-pyrrolidin-2-one; at 65 ℃; for 0.5h; Inert atmosphere; Large scale;

1-Chloro-4-fluorobenzene; In 1-methyl-pyrrolidin-2-one; at 65 - 75 ℃; for 4h; Inert atmosphere; Large scale;

DOI:10.1021/acs.oprd.6b00104

Reference yield: 75.2%

tert-butyl 4-(4-chlorophenoxy)piperidine-1-carboxylate (333954-83-9) → 4-(4-chlorophenoxy)piperidine hydrochloride (63843-53-8)

Guidance literature:

With hydrogenchloride; water; In ethyl acetate; at 20 ℃; for 3h;

Reference yield:

4-chloro-phenol (106-48-9,82344-39-6) + t-butyl 4-hydroxy piperidine-1-carboxylate (109384-19-2) → 4-(4-chlorophenoxy)piperidine hydrochloride (63843-53-8)

Guidance literature:

Multi-step reaction with 2 steps

1: di-isopropyl azodicarboxylate; triphenylphosphine / tetrahydrofuran / 69.6 h / 0 - 20 °C

2: trifluoroacetic acid / 0.27 h / 0 - 20 °C

With di-isopropyl azodicarboxylate; triphenylphosphine; trifluoroacetic acid; In tetrahydrofuran;

upstream raw materials:

tert-butyl 4-(4-chlorophenoxy)piperidine-1-carboxylate

4-HYDROXYPIPERIDINE

1-Chloro-4-fluorobenzene

4-chloro-phenol

Downstream raw materials:

t-butyl [(1S)-1-{[4-(4-chlorophenoxy)piperidin-1-yl]carbonyl}-2-methylpropyl]carbamate

(4-(4-chlorophenoxy)piperidin-1-yl)(1H-indol-5-yl)methanone

3-(tert-butyl)-5-(4-(4-chlorophenoxy)piperidine-1-carbonyl)benzoic acid

3-(tert-butyl)-5-(4-(4-chlorophenoxy)piperidine-1-carbonyl)benzamide

Refernces

• 1、 -. "SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED DISEASES". Page/Page column 51; 76. . Retrieved 2014/01/07.
• 2、 -. "KYNURENIC ACID AMIDE DERIVATIVES AS NR2B RECEPTOR ANTAGONISTS". Page/Page column 15. . Retrieved 2008/06/13.