2-(Methylamino)pyridine-3-carboxylic acid

Base Information

• Chemical Name: 2-(Methylamino)pyridine-3-carboxylic acid
• CAS No.: 32399-13-6
• Molecular Formula: C7H8N2O2
• Molecular Weight: 152.151
• Hs Code.: 2933399090
• European Community (EC) Number: 685-771-7
• DSSTox Substance ID: DTXSID80406223
• Wikidata: Q72487399
• Mol file: 32399-13-6.mol

Synonyms:2-(methylamino)nicotinic acid;32399-13-6;2-(methylamino)pyridine-3-carboxylic acid;2-Methylamino-nicotinic acid;MFCD00128789;2-methylaminonicotinic acid;2-(Methylamino)nicotinicacid;SCHEMBL1375514;SCHEMBL23008081;DTXSID80406223;SMYTUBMIBZOXTH-UHFFFAOYSA-N;AC7951;BBL028242;STK503054;AKOS000214167;SB53960;AC-30699;SY082009;VS-08703;3-pyridinecarboxylic acid, 2-(methylamino)-;BB 0256580;CS-0169245;FT-0655909;EN300-82788;2-(Methylamino)pyridine-3-carboxylic acid, 95%;A821259;Z71177490

Chemical Property of 2-(Methylamino)pyridine-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 4.38E-05mmHg at 25°C
• Melting Point: 250-255°C
• Refractive Index: 1.631
• Boiling Point: 336.5 °C at 760 mmHg
• PKA: 1.86±0.36(Predicted)
• Flash Point: 157.3 °C
• PSA: 62.22000
• Density: 1.327g/cm³
• LogP: 0.89450
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 152.058577502
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(Methylamino)pyridine-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=C(C=CC=N1)C(=O)O

Technology Process of 2-(Methylamino)pyridine-3-carboxylic acid

There total 4 articles about 2-(Methylamino)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: 98.0%

2-chloronicotinic acid (2942-59-8) + methylamine (74-89-5) → 2-(methylamino)pyridine-3-carboxylic acid (32399-13-6)

Guidance literature:

In water; at 140 ℃; for 1.5h; Concentration; Temperature; Time; Reactivity; Microwave irradiation; Biotage Initiator;

DOI:10.1016/j.tetlet.2009.03.034

Reference yield:

2-chloronicotinic acid (2942-59-8) + methylamine hydrochloride (593-51-1) → 2-(methylamino)pyridine-3-carboxylic acid (32399-13-6)

Guidance literature:

2-chloronicotinic acid; methylamine hydrochloride; With potassium carbonate; copper(I) bromide; In DMF (N,N-dimethyl-formamide); at 100 ℃; for 18h;

With hydrogenchloride; sodium hydroxide; In water; pH=6;

With poly(4-vinylpyridine); In methanol; at 20 ℃; for 18h;

Reference yield:

2-chloronicotinic acid (2942-59-8) + methylamine hydrochloride salt → 2-(methylamino)pyridine-3-carboxylic acid (32399-13-6)

Guidance literature:

2-chloronicotinic acid; methylamine hydrochloride salt; With potassium carbonate; copper(I) bromide; In N,N-dimethyl-formamide; at 100 ℃; for 20h;

With sodium hydroxide; In water;

upstream raw materials:

2-chloronicotinic acid

methylamine

methylamine hydrochloride

Downstream raw materials:

1-(ethylthiomethyl)-3-(2-hydroxy-6-oxo-1-cyclohexenecarbonyl)-1,8-naphthyridin-2(1H)-one

3-oxo-1-cyclohexenyl 1-(ethylthiomethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate

benzylidene-2-(methylamino)nicotinic acid hydrazide

C₂₃H₂₈ClN₃O₃

Refernces

• 1、 -. "1,8-NAPHTHYRIDIN-2-ONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE". Page/Page column 19; 20. . Retrieved 2021/06/04.
• 2、 -. "A preparation method of the midbody shakang zuo". Paragraph 0033-0038. . Retrieved 2018/05/16.