2-{[4-(Methylsulfanyl)phenyl]amino}pyridine-3-carboxylic acid

Base Information

Chemical Name:2-{[4-(Methylsulfanyl)phenyl]amino}pyridine-3-carboxylic acid
CAS No.:115891-08-2
Molecular Formula:C₁₃H₁₂N₂O₂S
Molecular Weight:260.316
Hs Code.:
DSSTox Substance ID:DTXSID301197681
Mol file:115891-08-2.mol

Synonyms:115891-08-2;2-(4-Methylsulfanyl-phenylamino)-nicotinic acid;2-{[4-(methylsulfanyl)phenyl]amino}pyridine-3-carboxylic acid;2-(4-methylsulfanylanilino)pyridine-3-carboxylic acid;DTXSID301197681;AKOS000214790;Z128206588;2-[[4-(Methylthio)phenyl]amino]-3-pyridinecarboxylic acid

Suppliers and Price of 2-{[4-(Methylsulfanyl)phenyl]amino}pyridine-3-carboxylic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 2-{[4-(Methylsulfanyl)phenyl]amino}pyridine-3-carboxylic acid

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:260.06194880
Heavy Atom Count:18
Complexity:280

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CSC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)O

Technology Process of 2-{[4-(Methylsulfanyl)phenyl]amino}pyridine-3-carboxylic acid

There total 1 articles about 2-{[4-(Methylsulfanyl)phenyl]amino}pyridine-3-carboxylic 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: 70.0%

: 2942-59-8
2-chloronicotinic acid

: 104-96-1
4-methylsulfanylaniline

: 115891-08-2
2-(4-Methylsulfanyl-phenylamino)-nicotinic acid

Guidance literature:: DOI:10.1021/jm00119a010

Reference yield:

: 115891-08-2
2-(4-Methylsulfanyl-phenylamino)-nicotinic acid

: [2-(4-Methylsulfanyl-phenylamino)-pyridin-3-yl]-methanol

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; for 24h; Heating;
DOI:10.1021/jm00172a004

Reference yield:

: 115891-08-2
2-(4-Methylsulfanyl-phenylamino)-nicotinic acid

: 115891-25-3
2-(4-Methylsulfanyl-phenylamino)-nicotinic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / acetone / 1.) 0 deg C, 2.) heating, 18 h

2: 95 percent / triethylamine / methanol / 6 h / Heating

With triethylamine; In methanol; acetone;
DOI:10.1021/jm00119a010