Hydron;4-(2-piperidin-1-ylethoxy)benzoic acid;chloride

Base Information

• Chemical Name: Hydron;4-(2-piperidin-1-ylethoxy)benzoic acid;chloride
• CAS No.: 84449-80-9
• Molecular Formula: C14H20ClNO3
• Molecular Weight: 285.771
• Hs Code.: 2933399090
• Mol file: 84449-80-9.mol

Synonyms:AKOS015897800

Chemical Property of Hydron;4-(2-piperidin-1-ylethoxy)benzoic acid;chloride

Chemical Property:

• Vapor Pressure: 4.9E-08mmHg at 25°C
• Melting Point: 267-271oC dec.
• Boiling Point: 413.2 °C at 760 mmHg
• Flash Point: 203.7 °C
• PSA: 49.77000
• LogP: 2.98940
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 285.1131712
• Heavy Atom Count: 19
• Complexity: 256

Purity/Quality:

99.9% ^*data from raw suppliers

4-[2-(1-Piperidinyl)ethoxy]benzoicAcidHydrochlorideSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [H+].C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)O.[Cl-]
• Uses: An intermediate in the synthesis of Raloxifene hydrochloride. An intermediate in the synthesis of Raloxifene hydrochloride

Technology Process of Hydron;4-(2-piperidin-1-ylethoxy)benzoic acid;chloride

There total 13 articles about Hydron;4-(2-piperidin-1-ylethoxy)benzoic acid;chloride 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: 95.3%

N-chloroethylpiperidine hydrochloride (2008-75-5) + methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → 4-[2-(N-piperidine)-ethoxy]benzoic acid methyl ester (89407-97-6) + 4-(2-piperidin-1-ylethoxy)benzoic acid hydrochloride (84449-80-9)

Guidance literature:

With potassium carbonate; In Isopropyl acetate; water;

Reference yield: 87.7%

ethyl 4-(2-Piperidinylethoxy)benzoate (93148-78-8) + N-chloroethylpiperidine hydrochloride (2008-75-5) + methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → 4-(2-piperidin-1-ylethoxy)benzoic acid hydrochloride (84449-80-9)

Guidance literature:

With potassium carbonate; In Isopropyl acetate; water;

Reference yield: 83.0%

ethyl 4-(2-Piperidinylethoxy)benzoate (93148-78-8) → 4-(2-piperidin-1-ylethoxy)benzoic acid hydrochloride (84449-80-9)

Guidance literature:

ethyl 4-(2-Piperidinylethoxy)benzoate; With sodium hydroxide; In methanol; water; at 40 ℃; for 4.5h;

With hydrogenchloride; In methanol; water;

upstream raw materials:

4-[2-(N-piperidine)-ethoxy]benzoic acid methyl ester

N-chloroethylpiperidine hydrochloride

methyl 4-hydroxylbenzoate

ethyl 4-(2-Piperidinylethoxy)benzoate

Downstream raw materials:

raloxifene hydrochloride

C₃₃H₃₄N₂O₃

C₃₅H₃₈N₂O₃

C₃₃H₃₂N₄O₇

Refernces

• 1、 Das, Umashankar,Singh, Ravi S.P.,Alcorn, Jane,Hickman, Mark R.,Sciotti, Richard J.,Leed, Susan E.,Lee, Patricia J.,Roncal, Norma,Dimmock, Jonathan R.. "3,5-Bis(benzylidene)-4-piperidones and related N-acyl analogs: A novel cluster of antimalarials targeting the liver stage of Plasmodium falciparum". . p. 7250 - 7256. Retrieved 2013/11/19.
• 2、 -. "Process for preparing benzoic acids". Page/Page column 4-7. . Retrieved 2010/02/12.