Ethyl isonicotinimidate

Base Information

• Chemical Name: Ethyl isonicotinimidate
• CAS No.: 41050-96-8
• Molecular Formula: C8H10 N2 O
• Molecular Weight: 150.18
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID90483045
• Wikidata: Q82320004
• Mol file: 41050-96-8.mol

Synonyms:Ethyl isonicotinimidate;41050-96-8;ISONICOTINIMIDIC ACID ETHYL ESTER;ethyl pyridine-4-carboximidate;SCHEMBL11530602;DTXSID90483045;VMLBGAUWXMOYSQ-UHFFFAOYSA-N;5-PHENYL-5-METHYLHEXANONE-3;ZB1776;AKOS010211706;DS-18120;CS-0187423;ISONICOTINIMIDIC ACID ETHYL ESTER HCL;C75086;A825414;J-521554

Chemical Property of Ethyl isonicotinimidate

Chemical Property:

• PSA: 45.97000
• LogP: 1.54320
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 150.079312947
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

98%min ^*data from raw suppliers

Isonicotinimidic acid ethyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=N)C1=CC=NC=C1

Technology Process of Ethyl isonicotinimidate

There total 3 articles about Ethyl isonicotinimidate 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: 98.4%

pyridine-4-carbonitrile (100-48-1) + ethanol (64-17-5) → pyridine-4-methylimine acid ethyl ester (41050-96-8)

Guidance literature:

With hydrogenchloride; In dichloromethane; at 0 ℃;

Reference yield:

pyridine-4-carbonitrile (100-48-1) + potassium carbonate (584-08-7) → pyridine-4-methylimine acid ethyl ester (41050-96-8)

Guidance literature:

With hydrogenchloride; In ethanol; chloroform; water;

Reference yield:

→ pyridine-4-methylimine acid ethyl ester (41050-96-8)

Guidance literature:

4-Pyridincarbonitril, NaBH4, A.;

upstream raw materials:

pyridine-4-carbonitrile

ethanol

potassium carbonate

Downstream raw materials:

3,5-di(pyridin-4-yl)-1,2,4-triazole

3,6-di-pyridin-4-yl-1,2-dihydro-[1,2,4,5]tetrazine

pyridine-4-carboxylic acid amidrazone

4-amidinopyridine hydrochloride

Refernces

• 1、 -. "3-pyridyl-3-amino-2-cyanoacrylate compound, and preparation method and application thereof". Paragraph 0058-0062. . Retrieved 2019/07/10.
• 2、 Orlewska,Foks,Sowinski,Martynowski,Olczak,Glowka. "Synthesis, structure and tuberculostatic activity of N′-(amino-pyridyl-methylene)-hydrazinecarbodithioic acid methyl esters". . p. 1237 - 1245. Retrieved 2007/10/03.