Methyl 4-(piperidin-4-yloxy)benzoate hydrochloride

Base Information

• Chemical Name: Methyl 4-(piperidin-4-yloxy)benzoate hydrochloride
• CAS No.: 455323-66-7
• Molecular Formula: C13H18ClNO3
• Molecular Weight: 271.74000
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID20696429
• Mol file: 455323-66-7.mol

Synonyms:455323-66-7;Methyl 4-(piperidin-4-yloxy)benzoate hydrochloride;METHYL 4-(4-PIPERIDINYLOXY)BENZOATE HYDROCHLORIDE;methyl 4-piperidin-4-yloxybenzoate;hydrochloride;Methyl 4-(piperidin-4-yloxy)benzoate, HCl;METHYL 4-(4-PIPERIDINYLOXY)BENZOATE HCL;Methyl4-(piperidin-4-yloxy)benzoatehydrochloride;DTXSID20696429;MFCD12546302;AKOS015847634;DS-1237;Methyl 4-(piperidin-4-yloxy)benzoate HCl;CS-0150808;FT-0720171;EN300-88730;A872367;Methyl 4-[(piperidin-4-yl)oxy]benzoate--hydrogen chloride (1/1)

Chemical Property of Methyl 4-(piperidin-4-yloxy)benzoate hydrochloride

Chemical Property:

• PSA: 47.56000
• LogP: 2.73480
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 271.0975211
• Heavy Atom Count: 18
• Complexity: 243

Purity/Quality:

97% ^*data from raw suppliers

Methyl 4-(4-piperidinyloxy)benzoate hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)OC2CCNCC2.Cl

Technology Process of Methyl 4-(piperidin-4-yloxy)benzoate hydrochloride

There total 3 articles about Methyl 4-(piperidin-4-yloxy)benzoate 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: 99.0%

tert-butyl 4-(4-(methoxycarbonyl)phenoxy)piperidine-1-carboxylate (281235-00-5) → 4'-(methoxycarbonylphenyloxy)-4-piperidine hydrochloride (455323-66-7)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 25 ℃; for 2h;

DOI:10.1021/jm401731q

Reference yield:

t-butyl 4-hydroxy piperidine-1-carboxylate (109384-19-2) → 4'-(methoxycarbonylphenyloxy)-4-piperidine hydrochloride (455323-66-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 53 percent / Ph₃P / tetrahydrofuran / 23 h / 0 - 20 °C

2: 74 percent / HCl / dioxane / 2 h / 20 °C

With hydrogenchloride; triphenylphosphine; In tetrahydrofuran; 1,4-dioxane;

DOI:10.1021/jm0208471

Reference yield:

methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → 4'-(methoxycarbonylphenyloxy)-4-piperidine hydrochloride (455323-66-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 53 percent / Ph₃P / tetrahydrofuran / 23 h / 0 - 20 °C

2: 74 percent / HCl / dioxane / 2 h / 20 °C

With hydrogenchloride; triphenylphosphine; In tetrahydrofuran; 1,4-dioxane;

DOI:10.1021/jm0208471

upstream raw materials:

tert-butyl 4-(4-(methoxycarbonyl)phenoxy)piperidine-1-carboxylate

methyl 4-hydroxylbenzoate

t-butyl 4-hydroxy piperidine-1-carboxylate

Downstream raw materials:

4-[(1-{6-[(2S)-2-{[2-(4-cyanophenyl)ethyl]carbamoyl}azetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl}piperidin-4-yl)oxy]benzoic acid

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