1-Benzyl-1,2,5,6-tetrahydropyridine-4-acetic acid ethyl ester

Base Information

Chemical Name:1-Benzyl-1,2,5,6-tetrahydropyridine-4-acetic acid ethyl ester
CAS No.:40112-97-8
Molecular Formula:C₁₆H₂₁NO₂
Molecular Weight:259.348
Hs Code.:
DSSTox Substance ID:DTXSID601189461
Nikkaji Number:J2.844.674H

Synonyms:40112-97-8;SCHEMBL10618183;DTXSID601189461;1-Benzyl-1,2,5,6-tetrahydropyridine-4-acetic acid ethyl ester;Ethyl 1,2,3,6-tetrahydro-1-(phenylmethyl)-4-pyridineacetate

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Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-Benzyl-1,2,5,6-tetrahydropyridine-4-acetic acid ethyl ester

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:259.157228913
Heavy Atom Count:19
Complexity:319

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)CC1=CCN(CC1)CC2=CC=CC=C2

Technology Process of 1-Benzyl-1,2,5,6-tetrahydropyridine-4-acetic acid ethyl ester

There total 3 articles about 1-Benzyl-1,2,5,6-tetrahydropyridine-4-acetic acid ethyl ester 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%

: 1443118-02-2
C₁₆H₁₈NO₂⁽¹⁺⁾*Br^(1-)

: 40112-97-8
ethyl 2-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)acetate

Guidance literature:: With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; triethylammonium formate; potassium iodide; In dichloromethane; at 40 ℃; for 24h; chemoselective reaction; Sealed tube;
DOI:10.1002/adsc.201201034

Reference yield:

: 3612-20-2
1-phenylmethyl-4-piperidone

: 867-13-0
diethoxyphosphoryl-acetic acid ethyl ester

: 40110-55-2
ethyl 2-(1-benzylpiperidine-4-ylidene)acetate

: 40112-97-8
ethyl 2-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)acetate

Guidance literature:: With sodium hydride; In 1,2-dimethoxyethane; at 30 ℃; for 2h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1002/ardp.19843171206

Reference yield:

: 54401-85-3
pyridin-4-yl-acetic acid ethyl ester

: 100-39-0
benzyl bromide

: 40112-97-8
ethyl 2-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)acetate

Guidance literature:: Multi-step reaction with 2 steps

1: acetonitrile / 0.25 h / 85 °C / Reflux

2: bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; potassium iodide; triethylammonium formate / dichloromethane / 24 h / 40 °C / Sealed tube

With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; triethylammonium formate; potassium iodide; In dichloromethane; acetonitrile;
DOI:10.1002/adsc.201201034