6-(Phenylamino)nicotinic acid

Base Information

• Chemical Name: 6-(Phenylamino)nicotinic acid
• CAS No.: 13426-16-9
• Molecular Formula: C12H10 N2 O2
• Molecular Weight: 214.224
• Hs Code.: 2933399090
• European Community (EC) Number: 808-457-5
• DSSTox Substance ID: DTXSID70378107
• Wikidata: Q82167594
• ChEMBL ID: CHEMBL237738
• Mol file: 13426-16-9.mol

Synonyms:13426-16-9;6-(phenylamino)nicotinic acid;6-phenylamino-nicotinic acid;6-anilinopyridine-3-carboxylic Acid;6-Phenylaminonicotinic acid;6-(phenylamino)pyridine-3-carboxylic acid;6-(Phenylamino)-3-pyridinecarboxylic acid;MFCD06245489;Boldinedimethylether;2-Anilinopyridine-5-carboxylic acid;SCHEMBL71308;CHEMBL237738;DTXSID70378107;OMGPNSFUSJHLFT-UHFFFAOYSA-N;AKOS000215627;PS-3089;6-phenylamino-nicotinic acid, AldrichCPR;6-(phenyl-amino)-pyridine-3-carboxylic acid;FT-0746969

Chemical Property of 6-(Phenylamino)nicotinic acid

Chemical Property:

• Vapor Pressure: 1.21E-07mmHg at 25°C
• Refractive Index: 1.676
• Boiling Point: 415.4°Cat760mmHg
• Flash Point: 205°C
• PSA: 62.22000
• Density: 1.328g/cm³
• LogP: 2.59640
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 214.074227566
• Heavy Atom Count: 16
• Complexity: 239

Purity/Quality:

NLT 98% ^*data from raw suppliers

6-(Phenylamino)nicotinicacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/38

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=NC=C(C=C2)C(=O)O

Technology Process of 6-(Phenylamino)nicotinic acid

There total 4 articles about 6-(Phenylamino)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: 2.0%

6-Chloro-3-pyridinecarboxylic acid (5326-23-8) + aniline (62-53-3) → 6-anilinonicotinic acid (13426-16-9)

Guidance literature:

In isopropyl alcohol; at 180 ℃; for 0.666667h; microwave irradiation;

DOI:10.1016/j.bmcl.2007.09.058

Reference yield:

6-phenylamino-nicotinic acid ethyl ester (1188374-62-0) → 6-anilinonicotinic acid (13426-16-9)

Guidance literature:

6-phenylamino-nicotinic acid ethyl ester; With lithium hydroxide monohydrate; water; In tetrahydrofuran; methanol; at 20 ℃;

With water; citric acid;

Reference yield:

→ N-phenyl-6-(phenylamino)-3-pyridinecarboxamide + 6-anilinonicotinic acid (13426-16-9)

Guidance literature:

upstream raw materials:

6-Chloro-3-pyridinecarboxylic acid

aniline

6-phenylamino-nicotinic acid ethyl ester

Refernces

• 1、 -. "NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE". Page/Page column 43-44. . Retrieved 2009/10/01.
• 2、 -. "N-cyanoamidine derivatives as anti-influenza agents". . . Retrieved 2008/06/13.