Ethyl 1-benzylpiperidine-2-carboxylate

Base Information

• Chemical Name: Ethyl 1-benzylpiperidine-2-carboxylate
• CAS No.: 77034-34-5
• Molecular Formula: C15H21 N O2
• Molecular Weight: 247.337
• Hs Code.: 2933399090
• European Community (EC) Number: 836-360-8
• DSSTox Substance ID: DTXSID90385555
• Nikkaji Number: J675.346I
• Mol file: 77034-34-5.mol

Synonyms:Ethyl 1-benzylpiperidine-2-carboxylate;77034-34-5;Ethyl1-benzylpiperidine-2-carboxylate;ethyl N-benzylpipecolinate;SCHEMBL1627052;DTXSID90385555;CDA03434;MFCD01652570;AKOS017283257;AB09650;CS-0217767;FT-0648866;EN300-83999;C90540;SR-01000202676;SR-01000202676-1;1-BENZYLPIPERIDINE-2-CARBOXYLIC ACID ETHYL ESTER;Z140592884

Chemical Property of Ethyl 1-benzylpiperidine-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.000208mmHg at 25°C
• Refractive Index: 1.533
• Boiling Point: 327°C at 760 mmHg
• Flash Point: 110.7°C
• PSA: 29.54000
• Density: 1.075g/cm³
• LogP: 2.54210
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 247.157228913
• Heavy Atom Count: 18
• Complexity: 261

Purity/Quality:

98%min ^*data from raw suppliers

ETHYL1-BENZYLPIPERIDINE-2-CARBOXYLATE 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CCCCN1CC2=CC=CC=C2

Technology Process of Ethyl 1-benzylpiperidine-2-carboxylate

There total 4 articles about Ethyl 1-benzylpiperidine-2-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:

benzyl bromide (100-39-0) + ethyl pipecolate (15862-72-3) → ethyl N-benzylpipecolinate (77034-34-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1016/S0040-4039(97)01258-6

Reference yield:

benzylamine (100-46-9) → ethyl N-benzylpipecolinate (77034-34-5)

Guidance literature:

With potassium iodide; benzene;

DOI:10.1021/jo01376a014

Reference yield:

pipecolic Acid (4043-87-2,83680-83-5) → ethyl N-benzylpipecolinate (77034-34-5)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / 3 h / Heating

2: Et₃N / 6 h / Heating

With thionyl chloride; triethylamine;

DOI:10.1080/00397919508011440

upstream raw materials:

O-benzyl-N,N'-dicyclohexylisourea

ethyl pipecolate

benzyl bromide

benzylamine

Downstream raw materials:

N-benzyl-2-(2-hydroxyethyl)piperidine

(E)-2-((1-benzylpiperidine-4-yl)methylene)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one

(1-benzylpiperidin-2-yl)acetaldehyde

donepezil