2-[(4-Ethoxyphenyl)amino]nicotinic acid

Base Information

• Chemical Name: 2-[(4-Ethoxyphenyl)amino]nicotinic acid
• CAS No.: 4394-10-9
• Molecular Formula: C14H14 N2 O3
• Molecular Weight: 258.2726
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID20360794
• Wikidata: Q82142735
• Mol file: 4394-10-9.mol

Synonyms:2-[(4-ethoxyphenyl)amino]nicotinic acid;4394-10-9;2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylic acid;2-(4-ethoxyanilino)pyridine-3-carboxylic acid;2-((4-Ethoxyphenyl)amino)nicotinic acid;Oprea1_124943;DTXSID20360794;MFCD03119353;AKOS000117456;2-((4-Ethoxyphenyl)amino)nicotinicacid;LS-10082;CS-0221727;EN300-09884;Z56346830

Chemical Property of 2-[(4-Ethoxyphenyl)amino]nicotinic acid

Chemical Property:

• Vapor Pressure: 3E-08mmHg at 25°C
• Boiling Point: 432.5°Cat760mmHg
• Flash Point: 215.4°C
• PSA: 71.45000
• Density: 1.28g/cm³
• LogP: 2.99510
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 258.10044231
• Heavy Atom Count: 19
• Complexity: 290

Purity/Quality:

99% ^*data from raw suppliers

2-[(4-Ethoxyphenyl)amino]nicotinic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)O

Technology Process of 2-[(4-Ethoxyphenyl)amino]nicotinic acid

There total 2 articles about 2-[(4-Ethoxyphenyl)amino]nicotinic acid 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: 98.0%

2-chloronicotinic acid (2942-59-8) + 4-Ethoxyaniline (156-43-4) → 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylic acid (4394-10-9)

Guidance literature:

With potassium carbonate; In water; at 150 ℃; for 1.5h; Green chemistry;

DOI:10.1007/s11164-012-0494-0

Reference yield:

→ 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylic acid (4394-10-9)

Guidance literature:

2-Chlor-nicotinsaeure, p-Ethoxyanilin*HCl;

upstream raw materials:

2-chloronicotinic acid

4-Ethoxyaniline

Refernces

• 1、 Li, Zheng-Hua,Xia, Zhi-Ning,Chen, Gang. "Catalyst-free amination of 2-chloronicotinic acid in water under microwave irradiation". experimental part. p. 709 - 711. Retrieved 2012/03/09.