2-Methoxynicotinic acid

Base Information

• Chemical Name: 2-Methoxynicotinic acid
• CAS No.: 16498-81-0
• Molecular Formula: C7H7NO3
• Molecular Weight: 153.137
• Hs Code.: 29339900
• European Community (EC) Number: 605-381-2
• DSSTox Substance ID: DTXSID60351727
• Nikkaji Number: J2.169.246H
• Wikidata: Q72517169
• Mol file: 16498-81-0.mol

Synonyms:2-Methoxynicotinic acid;16498-81-0;2-Methoxypyridine-3-carboxylic acid;2-Methoxy-3-pyridinecarboxylic Acid;3-Pyridinecarboxylic acid, 2-methoxy-;2-Methoxy-nicotinic acid;MFCD00085110;2-methoxynicotinicacid;Maybridge1_004722;2-methoxy nicotinic acid;Oprea1_094666;SCHEMBL18201;HMS554O14;DTXSID60351727;BBL011167;STK930311;AKOS000140958;CS-W019566;PB18444;PS-6151;2-(methyloxy)-3-pyridinecarboxylic acid;CS-10546;SY005581;2-Methoxypyridine-3-carboxylic acid, 97%;AM20070253;FT-0612856;M2041;EN300-30396;A19459;P10071;J-509868;Z71179597;F2191-0003

Chemical Property of 2-Methoxynicotinic acid

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0.0013mmHg at 25°C
• Melting Point: 146-150 °C(lit.)
• Boiling Point: 285.5 °C at 760 mmHg
• PKA: 3.36±0.10(Predicted)
• Flash Point: 126.5 °C
• PSA: 59.42000
• Density: 1.284 g/cm³
• LogP: 0.78840
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 153.042593085
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

99%min ^*data from raw suppliers

2-Methoxynicotinic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36-36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC=N1)C(=O)O
• Uses: 2-Methoxynicotinic Acid can be used as potenti antifungal agent.

Technology Process of 2-Methoxynicotinic acid

There total 4 articles about 2-Methoxynicotinic 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: 64.0%

2-chloronicotinic acid (2942-59-8) + sodium methylate (124-41-4) → 2-methoxynicotinic acid (16498-81-0)

Guidance literature:

In methanol; at 125 ℃; autoclave;

Reference yield:

2-chloronicotinic acid (2942-59-8) → 2-methoxynicotinic acid (16498-81-0)

Guidance literature:

With sodium methylate; In methanol; water;

Reference yield:

2-methoxynicotinic acid methyl ester (67367-26-4) → 2-methoxynicotinic acid (16498-81-0)

Guidance literature:

2-methoxynicotinic acid methyl ester; With water; sodium hydroxide; In methanol; for 2h; Reflux;

With hydrogenchloride; In methanol; water; pH=7;

upstream raw materials:

2-chloronicotinic acid

sodium methylate

2-methoxynicotinic acid methyl ester

Downstream raw materials:

1,1-dimethylfuro<3,4-c>pyridine-3,4(1H,5H)-dione

4-chloro-1,1-dimethylfuro[3,4-c]pyridine-3(1H)-one

2-methoxy-3-phenylpyridine

3-Bromo-2-methoxypyridine

Refernces

• 1、 -. "Herbicidal 1-pyridyltetrazolinones". . . Retrieved 2008/06/13.
• 2、 -. "Hypoglycemic 5-substituted oxazolidine-2,4-diones". . . Retrieved 2008/06/13.