Ethyl 4-hydroxy-4-(2-(2-hydroxyethyl)phenyl)piperidine-1-carboxylate

Base Information

• Chemical Name: Ethyl 4-hydroxy-4-(2-(2-hydroxyethyl)phenyl)piperidine-1-carboxylate
• CAS No.: 173943-92-5
• Molecular Formula: C₁₆H₂₃NO₄
• Molecular Weight: 293.363
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40445850
• Wikidata: Q82264385
• Mol file: 173943-92-5.mol

Synonyms:173943-92-5;Ethyl 4-hydroxy-4-(2-(2-hydroxyethyl)phenyl)piperidine-1-carboxylate;Ethyl 4-hydroxy-4-[2-(2-hydroxyethyl)phenyl]piperidine-1-carboxylate;Ethyl 4-hydroxy-4-(2-(2-hydroxyethyl)-phenyl)piperidine-1-carboxylate;SCHEMBL5824190;DTXSID40445850;Ethyl4-hydroxy-4-(2-(2-hydroxyethyl)phenyl)piperidine-1-carboxylate;MFCD26405743;AKOS016014985;DS-2919;SB43164;CS-0151557;A881727;1-Piperidinecarboxylic acid, 4-hydroxy-4-[2-(2-hydroxyethyl)phenyl]-, ethyl ester

Chemical Property of Ethyl 4-hydroxy-4-(2-(2-hydroxyethyl)phenyl)piperidine-1-carboxylate

Chemical Property:

• Boiling Point: 455.8±45.0 °C(Predicted)
• PKA: 13.94±0.20(Predicted)
• PSA: 70.00000
• Density: 1.214±0.06 g/cm3(Predicted)
• LogP: 1.59920
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 293.16270821
• Heavy Atom Count: 21
• Complexity: 339

Purity/Quality:

97% ^*data from raw suppliers

Ethyl4-hydroxy-4-(2-(2-hydroxyethyl)-phenyl)piperidine-1-carboxylate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1CCC(CC1)(C2=CC=CC=C2CCO)O

Technology Process of Ethyl 4-hydroxy-4-(2-(2-hydroxyethyl)phenyl)piperidine-1-carboxylate

There total 1 articles about Ethyl 4-hydroxy-4-(2-(2-hydroxyethyl)phenyl)piperidine-1-carboxylate 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:

2-bromophenylethyl alcohol (1074-16-4) + N-ethoxycarbonyl-4-piperidone (29976-53-2) → 4-Hydroxy-4-[2-(2-hydroxy-ethyl)-phenyl]-piperidine-1-carboxylic acid ethyl ester (173943-92-5)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction; 1.) hexane, THF, Et₂O, -78 deg C, 1 h, 2.) hexane, THF, Et₂O, RT, 6 h;

DOI:10.1248/cpb.46.242

Reference yield:

4-Hydroxy-4-[2-(2-hydroxy-ethyl)-phenyl]-piperidine-1-carboxylic acid ethyl ester (173943-92-5) → C31H34Cl2N2O2

Guidance literature:

Multi-step reaction with 3 steps

1: 73 percent / TsCl, pyridine / CH₂Cl₂ / 38 h / Ambient temperature

2: 5N aq. NaOH / ethanol / 24 h / Heating

3: Et₃N / dimethylformamide / 70 °C

With pyridine; sodium hydroxide; triethylamine; p-toluenesulfonyl chloride; In ethanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1248/cpb.46.242

Reference yield:

4-Hydroxy-4-[2-(2-hydroxy-ethyl)-phenyl]-piperidine-1-carboxylic acid ethyl ester (173943-92-5) → 3,4-dihydrospiro[[2]benzopyran-1,4'-piperidine] (180160-97-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 73 percent / TsCl, pyridine / CH₂Cl₂ / 38 h / Ambient temperature

2: 5N aq. NaOH / ethanol / 24 h / Heating

With pyridine; sodium hydroxide; p-toluenesulfonyl chloride; In ethanol; dichloromethane;

DOI:10.1248/cpb.46.242

upstream raw materials:

2-bromophenylethyl alcohol

N-ethoxycarbonyl-4-piperidone

Downstream raw materials:

3,4-dihydrospiro[[2]benzopyran-1,4'-piperidine]