Methyl 4-(2-(piperidin-1-yl)ethoxy)benzoate

Base Information

• Chemical Name: Methyl 4-(2-(piperidin-1-yl)ethoxy)benzoate
• CAS No.: 89407-97-6
• Molecular Formula: C15H21NO3
• Molecular Weight: 263.337
• DSSTox Substance ID: DTXSID90534768
• Wikidata: Q82408743

Synonyms:Methyl 4-(2-(piperidin-1-yl)ethoxy)benzoate;89407-97-6;methyl 4-(2-piperidin-1-ylethoxy)benzoate;Methyl 4-[2-(piperidin-1-yl)ethoxy]benzoate;methyl4-(2-(piperidin-1-yl)ethoxy)benzoate;SCHEMBL5681637;DTXSID90534768;Benzoic acid, 4-[2-(1-piperidinyl)ethoxy]-, methyl ester;Benzoic acid, p-(2-piperidinoethoxy)-, methyl ester;Methyl 4-[2-(1-piperidyl)ethoxy]benzoate;4-[2-(1-piperidyl)ethoxy]benzoic Acid Methyl Ester

Chemical Property of Methyl 4-(2-(piperidin-1-yl)ethoxy)benzoate

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 263.15214353
• Heavy Atom Count: 19
• Complexity: 269

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)OCCN2CCCCC2

Technology Process of Methyl 4-(2-(piperidin-1-yl)ethoxy)benzoate

There total 5 articles about Methyl 4-(2-(piperidin-1-yl)ethoxy)benzoate 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: 86.7%

1-piperidinoethanol (3040-44-6) + methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → 4-[2-(N-piperidine)-ethoxy]benzoic acid methyl ester (89407-97-6)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 - 20 ℃; for 16h; Inert atmosphere;

Reference yield: 80.0%

→ 4-[2-(N-piperidine)-ethoxy]benzoic acid methyl ester (89407-97-6)

Guidance literature:

upstream raw materials:

methyl 4-hydroxylbenzoate

ethylene dibromide

N-chloroethylpiperidine hydrochloride

1-piperidinoethanol

Downstream raw materials:

4-(2-(piperidin-1-yl)-ethoxy)benzoic acid

4-(2-piperidin-1-ylethoxy)benzoic acid hydrochloride

4-(2-(piperidin-1-yl)ethoxy)benzoyl hydrazine

[4-[2-(1-piperidinyl)ethoxy]phenyl]methanol

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