Ethyl 2-(1-benzylpiperidin-4-ylidene)propanoate

Base Information

• Chemical Name: Ethyl 2-(1-benzylpiperidin-4-ylidene)propanoate
• CAS No.: 98080-15-0
• Molecular Formula: C17H23NO2
• Molecular Weight: 273.375
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID90434259
• Mol file: 98080-15-0.mol

Synonyms:ethyl 2-(1-benzylpiperidin-4-ylidene)propanoate;98080-15-0;Ethyl2-(1-benzylpiperidin-4-ylidene)propanoate;SCHEMBL8971751;DTXSID90434259;AQTNNBFADJJIQX-UHFFFAOYSA-N;J-520574;2-[1-(phenylmethyl)-4-piperidinylidene]propanoic acid, ethyl ester

Chemical Property of Ethyl 2-(1-benzylpiperidin-4-ylidene)propanoate

Chemical Property:

• PSA: 29.54000
• LogP: 3.09990
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 273.172878976
• Heavy Atom Count: 20
• Complexity: 346

Purity/Quality:

≥99% ^*data from raw suppliers

Ethyl2-(1-benzylpiperidin-4-ylidene)propanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=C1CCN(CC1)CC2=CC=CC=C2)C

Technology Process of Ethyl 2-(1-benzylpiperidin-4-ylidene)propanoate

There total 1 articles about Ethyl 2-(1-benzylpiperidin-4-ylidene)propanoate 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: 76.0%

1-phenylmethyl-4-piperidone (3612-20-2) + ethyl 2-diethoxyphosphorylpropionate (3699-66-9) → 2-[1-(phenylmethyl)-4-piperidinylidene]propanoic acid ethyl ester (98080-15-0)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃; for 1h;

Reference yield: 99.0%

di-tert-butyl dicarbonate (24424-99-5) + 2-[1-(phenylmethyl)-4-piperidinylidene]propanoic acid ethyl ester (98080-15-0) → tert-butyl 4-(1-ethoxy-1-oxopropan-2-yl)piperidine-1-carboxylate (141060-29-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 55 ℃; for 6h; under 2844.39 Torr;

Reference yield: 80.0%

2-[1-(phenylmethyl)-4-piperidinylidene]propanoic acid ethyl ester (98080-15-0) → ethyl α-methyl-1-(phenylmethyl)-4-piperidineacetate (124438-27-3)

Guidance literature:

With hydrogen; Adam’s catalyst; In ethanol; Ambient temperature;

DOI:10.1002/jhet.5570300526

upstream raw materials:

1-phenylmethyl-4-piperidone

ethyl 2-diethoxyphosphorylpropionate

Downstream raw materials:

ethyl α-methyl-1-(phenylmethyl)-4-piperidineacetate

2-piperidin-4-ylpropionic acid ethyl ester

tert-butyl 4-(1-ethoxy-1-oxopropan-2-yl)piperidine-1-carboxylate

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