Ethyl 1-benzyl-2-piperidineacetate

Base Information

• Chemical Name: Ethyl 1-benzyl-2-piperidineacetate
• CAS No.: 122059-35-2
• Molecular Formula: C16H23NO2
• Molecular Weight: 261
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80447358
• Nikkaji Number: J461.764I
• Mol file: 122059-35-2.mol

Synonyms:ethyl 1-benzyl-2-piperidineacetate;122059-35-2;Ethyl 2-(1-benzylpiperidin-2-yl)acetate;DTXSID80447358;AC3246;MFCD13191629;AKOS015950560;SB43232;Ethyl2-(1-benzylpiperidin-2-yl)acetate;BS-21244;SY006980;1-Benzylpiperidine-2-acetic acid ethyl ester;CS-0207988;FT-0763929;A891227

Chemical Property of Ethyl 1-benzyl-2-piperidineacetate

Chemical Property:

• Vapor Pressure: 7.69E-05mmHg at 25°C
• Boiling Point: 342.1°C at 760 mmHg
• Flash Point: 113.4°C
• PSA: 29.54000
• Density: 1.045g/cm³
• LogP: 2.93220
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 261.172878976
• Heavy Atom Count: 19
• Complexity: 274

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-(1-benzylpiperidin-2-yl)acetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1CCCCN1CC2=CC=CC=C2

Technology Process of Ethyl 1-benzyl-2-piperidineacetate

There total 7 articles about Ethyl 1-benzyl-2-piperidineacetate 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: 89.0%

N-benzylpiperidine-2-carbonitrile (120153-68-6) + ethyl bromoacetate (105-36-2) → ethyl (1-benzylpiperidin-2-yl)acetate (122059-35-2)

Guidance literature:

With chloro-trimethyl-silane; zinc; In neat (no solvent); for 6h; Ambient temperature;

Reference yield: 75.0%

ethyl (2E)-7-iodohept-2-enoate (98202-45-0) + benzylamine (100-46-9) → ethyl (1-benzylpiperidin-2-yl)acetate (122059-35-2)

Guidance literature:

With triethylamine; In ethanol; for 16h; Heating;

DOI:10.1039/b712503h

Reference yield:

ethyl 7-bromo-2-(E)-heptenoate (111710-77-1) → ethyl (1-benzylpiperidin-2-yl)acetate (122059-35-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / NaI / acetone / Heating; 12-24 h

2: 61 percent / triethylamine / ethanol / 36 h / Heating

With triethylamine; sodium iodide; In ethanol; acetone;

DOI:10.1021/jo00032a025

upstream raw materials:

benzyl bromide

2-ethoxyhexahydro-2H-isoxazolo<2,3-a>pyridine

ethyl (2E)-7-iodohept-2-enoate

benzylamine

Downstream raw materials:

1-azabicyclo<4.2.0>octan-8-one

2-(piperidin-2-yl)acetic acid

(+/-)-anagyrine

ethyl 2-[N-benzylpiperidin-2-yl]acrylate