1(4H)-Pyridinecarboxylic acid, 4-butyl-, phenyl ester

Base Information

Chemical Name:1(4H)-Pyridinecarboxylic acid, 4-butyl-, phenyl ester
CAS No.:86801-34-5
Molecular Formula:C16H19NO2
Molecular Weight:257.332
Hs Code.:
DSSTox Substance ID:DTXSID90444459

Synonyms:1(4H)-Pyridinecarboxylic acid, 4-butyl-, phenyl ester;86801-34-5;DTXSID90444459;phenyl 4-butyl-1(4H)-pyridinecarboxylate;4-butyl-1,4-dihydro-pyridine-1-carboxylic acid phenyl ester

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

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Chemical Property of 1(4H)-Pyridinecarboxylic acid, 4-butyl-, phenyl ester

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:257.141578849
Heavy Atom Count:19
Complexity:329

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC1C=CN(C=C1)C(=O)OC2=CC=CC=C2

Technology Process of 1(4H)-Pyridinecarboxylic acid, 4-butyl-, phenyl ester

There total 7 articles about 1(4H)-Pyridinecarboxylic acid, 4-butyl-, phenyl 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: 95.0%

: 693-04-9
butyl magnesium bromide

: 86801-40-3
1-phenoxycarbonylpyridinium chloride

: 86801-34-5
4-Butyl-4H-pyridine-1-carboxylic acid phenyl ester

Guidance literature:: With copper(l) iodide; In tetrahydrofuran; at -20 ℃;
DOI:10.1016/S0040-4039(00)88029-6

Reference yield: 91.0%

: 110-86-1
pyridine

: 92273-73-9
n-butylzinc bromide

: 1885-14-9
phenyl chloroformate

: 86801-34-5
4-Butyl-4H-pyridine-1-carboxylic acid phenyl ester

Guidance literature:: pyridine; phenyl chloroformate; CuCN*2LiBr; In tetrahydrofuran; at 20 ℃;

n-butylzinc bromide; In tetrahydrofuran; at 20 ℃; for 1h; Further stages.;
DOI:10.1002/ejoc.200300387

Reference yield:

: 110-86-1
pyridine

: 86801-34-5
4-Butyl-4H-pyridine-1-carboxylic acid phenyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: copper(I) iodide / tetrahydrofuran / 0.08 h

2: copper(I) iodide

With copper(l) iodide; In tetrahydrofuran;
DOI:10.1021/jo970039v