Ethyl isonicotinate

Base Information

• Chemical Name: Ethyl isonicotinate
• CAS No.: 1570-45-2
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.165
• Hs Code.: HYSICAL AND CHEMICAL PROPERTIES PHYSICAL STATE
• European Community (EC) Number: 216-379-2
• NSC Number: 6854
• UNII: ONG7XTI4BL
• DSSTox Substance ID: DTXSID6061789
• Nikkaji Number: J27.968D
• Wikidata: Q72475605
• ChEMBL ID: CHEMBL2251613
• Mol file: 1570-45-2.mol

Synonyms:ethyl isonicotinate

Chemical Property of Ethyl isonicotinate

Chemical Property:

• Appearance/Colour: clear colorless to light brown liquid
• Vapor Pressure: 0.119mmHg at 25°C
• Melting Point: 23 °C
• Refractive Index: 1.5010
• Boiling Point: 219.5 °C at 760 mmHg
• PKA: pK1:3.45(+1) (25°C)
• Flash Point: 89 °C
• PSA: 39.19000
• Density: 1.102 g/cm³
• LogP: 1.25830
• Storage Temp.: Store below +30°C.
• Solubility.: H2O: soluble
• Water Solubility.: immiscible
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

4-PyridinecarboxylicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=NC=C1
• Uses: Ethyl isonicotinate is an organic building block, used in the synthesis of various pharmaceutical and biologically active compounds. It is also a pyridine compound that is shown to be able to trap the thrips in the corp.

Technology Process of Ethyl isonicotinate

There total 37 articles about Ethyl isonicotinate 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: 97.2%

pyridine-4-carboxylic acid (55-22-1) + ethanol (64-17-5) → isonicotinic acid ethylester (1570-45-2)

Guidance literature:

With pyrographite; In toluene; at 130 ℃; for 0.166667h; Irradiation;

Reference yield: 97.0%

ethyl isonicotinate N-oxide (14906-37-7) → isonicotinic acid ethylester (1570-45-2)

Guidance literature:

With titanium tetrachloride; tin(ll) chloride; In diethyl ether; for 0.5h; Ambient temperature;

Reference yield: 89.0%

isoniazid (54-85-3,7640-37-1) + ethanol (64-17-5) → isonicotinic acid ethylester (1570-45-2)

Guidance literature:

With ammonium cerium(IV) nitrate; at 20 ℃; for 0.25h;

DOI:10.1016/S0040-4039(99)00764-9

upstream raw materials:

pyridine

chloroformic acid ethyl ester

pyridine-4-carboxylic acid

ethanol

Downstream raw materials:

di-pyridin-4-yl-methanone

1,3-bis(pyridin-4-yl)propane-1,3-dione

2-(4-pyridyl)propan-2-ol

N-(2-(1H-indol-3-yl)ethyl)pyridine-4-carboxamide

Refernces

Synthesis and spectroscopic properties of Ni(II) complexes of some aroyl hydrazone ligands with 2,6-diacetyl pyridine monooxime: X-ray crystal structure of the salicyloylhydrazone Ni(II) complex

10.1016/j.ica.2010.05.009

The study focuses on the synthesis and characterization of five new Ni(II) complexes with aroyl hydrazone ligands derived from 2,6-diacetyl pyridine monooxime. The complexes were found to have a distorted octahedral N4O2 coordination environment around the Ni(II) ion, with the ligands coordinating through the pyridine nitrogen, imino-hydrazone nitrogen, and the deprotonated oxygen of the hydrazone moiety. The uncoordinated iminooxime groups and the orthogonal orientation of the CH3–C@N–OH groups relative to the adjacent pyridine rings were observed. The ligands and their corresponding Ni(II) complexes exhibited luminescence, with the complexes showing a lower quantum yield compared to the free ligands. The study also includes the X-ray crystal structure of the Ni(II) salicyloylhydrazone complex, which revealed details about the molecular structure and hydrogen bonding interactions in the crystal lattice. The research provides insights into the coordination chemistry of aroyl hydrazone ligands and their potential applications in areas such as pharmaceuticals and materials science.