2-(1-Benzylpiperidin-4-yl)ethanol

Base Information

• Chemical Name: 2-(1-Benzylpiperidin-4-yl)ethanol
• CAS No.: 76876-70-5
• Molecular Formula: C14H21NO
• Molecular Weight: 219.327
• Hs Code.: 29333220
• DSSTox Substance ID: DTXSID90369335
• Nikkaji Number: J1.931.866D
• Wikidata: Q82156378
• Mol file: 76876-70-5.mol

Synonyms:2-(1-benzylpiperidin-4-yl)ethanol;76876-70-5;N-Benzyl-4-(2-hydroxyethyl)piperidine;1-benzyl-4-(2-hydroxyethyl)piperidine;1-Benzyl-4-(2-hydroxyethyl)piperdine;1-Benzylpiperidine-4-ethanol;SCHEMBL368874;SCHEMBL10617395;DTXSID90369335;FBFPTWSKNJHCGT-UHFFFAOYSA-N;MFCD00800492;1-(phenylmethyl)-4-piperidineethanol;AKOS015998815;2-(1-benzylpiperidin-4-yl)ethan-1-ol;AS-18770;BP-13101;1-benzyl-4-(2-hydroxy-1-ethyl)piperidine;A9738;CS-0206014;873457-43-3

Chemical Property of 2-(1-Benzylpiperidin-4-yl)ethanol

Chemical Property:

• Vapor Pressure: 7.93E-05mmHg at 25°C
• Refractive Index: 1.537-1.54
• Boiling Point: 327.9 °C at 760 mmHg
• PKA: 15.10±0.10(Predicted)
• Flash Point: 145 °C
• PSA: 23.47000
• Density: 1.039 g/cm³
• LogP: 2.21890
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 219.162314293
• Heavy Atom Count: 16
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

2-(1-Benzylpiperidin-4-yl)ethanol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1CCO)CC2=CC=CC=C2

Technology Process of 2-(1-Benzylpiperidin-4-yl)ethanol

There total 17 articles about 2-(1-Benzylpiperidin-4-yl)ethanol 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: 90.0%

methyl N-benzyl-piperidin-4-yl-acetate hydrochloride → N-benzyl-4-(2-hydroxyethyl)piperidine (76876-70-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1081/SCC-120021515

Reference yield: 75.0%

ethyl (1-benzylpiperidin-4-yl)acetate (71879-59-9) → N-benzyl-4-(2-hydroxyethyl)piperidine (76876-70-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 1h; Reflux;

DOI:10.1016/j.bmc.2017.02.048

Reference yield:

benzoic acid (65-85-0,8013-63-6) + 1-benzylquinuclidin-1-ium bromide → benzoic acid benzyl ester (120-51-4) + N-benzyl-4-(2-hydroxyethyl)piperidine (76876-70-5) + 4-(2-benzoyloxyethyl)-1-benzylpiperidine

Guidance literature:

With 1-methyl-pyrrolidin-2-one; caesium carbonate; at 150 ℃; for 15h;

DOI:10.1002/jhet.5570340217

upstream raw materials:

ethyl (1-benzylpiperidin-4-yl)acetate

benzoic acid

ethyl 2-(1-benzylpiperidine-4-ylidene)acetate

1-phenylmethyl-4-piperidone

Downstream raw materials:

1-benzyl-4-(2-chloroethyl)piperidine

(1-benzylpiperidin-4-yl)acetaldehyde

1-benzyl-4-bromopiperidine