2-FLUORONICOTINIC ACID METHYL ESTER

Base Information

• Chemical Name: 2-FLUORONICOTINIC ACID METHYL ESTER
• CAS No.: 446-26-4
• Molecular Formula: C7H6 F N O2
• Molecular Weight: 155.129
• Hs Code.: 2933399090
• Mol file: 446-26-4.mol

Synonyms:Nicotinicacid, 2-fluoro-, methyl ester (7CI,8CI); Nicotinic acid, 2-fluoro-, methylesters (5CI); 2-Fluoronicotinic acid methyl ester;2-Fluoropyridine-3-carboxylic acid methyl ester; Methyl 2-fluoronicotinate; NSC51593

Chemical Property of 2-FLUORONICOTINIC ACID METHYL ESTER

Chemical Property:

• Vapor Pressure: 0.105mmHg at 25°C
• Melting Point: 22-26 °C
• Boiling Point: 75 °C/5 mmHg
• PKA: -2.47±0.10(Predicted)
• Flash Point: 110 ºC
• PSA: 39.19000
• Density: 1.243g/cm³
• LogP: 1.00730
• Storage Temp.: Room temperature.

Purity/Quality:

99% ^*data from raw suppliers

Methyl2-fluoronicotinate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 2-FLUORONICOTINIC ACID METHYL ESTER

There total 7 articles about 2-FLUORONICOTINIC ACID METHYL ESTER 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: 92.5%

2-fluoronicotinic acid (393-55-5) + dimethyl sulfate (77-78-1) → methyl 2-fluoro-3-pyridinecarboxylate (446-26-4)

Guidance literature:

In N,N-dimethyl-formamide; at 50 ℃; for 8h;

Reference yield: 78.0%

2-fluoropyridine (372-48-5) + methyl chloroformate (79-22-1) → methyl 2-fluoro-3-pyridinecarboxylate (446-26-4)

Guidance literature:

2-fluoropyridine; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 4h;

methyl chloroformate; In tetrahydrofuran; at -78 - 20 ℃; Further stages.;

DOI:10.1021/jo026173j

Reference yield: 76.0%

methyl 2-chloropyridine-3-carboxylate (40134-18-7) → methyl 2-fluoro-3-pyridinecarboxylate (446-26-4)

Guidance literature:

With 18-crown-6 ether; tetramethlyammonium chloride; cesium fluoride; In acetonitrile; at 60 ℃; for 16h; Glovebox;

DOI:10.1021/acs.joc.0c02845

upstream raw materials:

methanol

2-fluoronicotinic acid

methyl 3-pyridinecarboxylate

2-fluoropyridine

Downstream raw materials:

1-methyl-1H-pyrazolo[3,4-b]pyridin-3-ol

methyl 2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinate

2-benzylsulfanylnicotinic acid

methyl 2-phenoxypyridine-3-carboxylate

Refernces

• 1、 -. "With anti-tumor activity of 2 - methoxy nicotinamide derivatives preparation method and use thereof (by machine translation)". Paragraph 0034-0036. . Retrieved 2019/03/08.
• 2、 -. "SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS". Page/Page column 11. . Retrieved 2011/06/10.