2-(4-FLUOROPHENOXY)NICOTINIC ACID

Base Information

• Chemical Name: 2-(4-FLUOROPHENOXY)NICOTINIC ACID
• CAS No.: 54629-13-9
• Molecular Formula: C12H8FNO3
• Molecular Weight: 233.199
• Hs Code.: 2933399090
• Mol file: 54629-13-9.mol

Synonyms:2-(4-Fluorophenoxy)nicotinicacid;

Chemical Property of 2-(4-FLUOROPHENOXY)NICOTINIC ACID

Chemical Property:

• Vapor Pressure: 5.63E-06mmHg at 25°C
• Melting Point: 187 °C
• Boiling Point: 365.2 °C at 760 mmHg
• PKA: 2.21±0.36(Predicted)
• Flash Point: 174.7 °C
• PSA: 59.42000
• Density: 1.371 g/cm³
• LogP: 2.71120

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Fluorophenoxy)nicotinic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

Technology Process of 2-(4-FLUOROPHENOXY)NICOTINIC ACID

There total 6 articles about 2-(4-FLUOROPHENOXY)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: 83.0%

2-(4-fluoro-phenoxy)-nicotinic acid ethyl ester (771553-62-9) → 2-(4-Fluoro-phenoxy)-nicotinic acid (54629-13-9)

Guidance literature:

With sodium hydroxide; In ethanol; for 3h; Heating;

DOI:10.1016/j.bmcl.2005.10.026

Reference yield:

2-chloronicotinic acid (2942-59-8) + 4-Fluorophenol (371-41-5) → 2-(4-Fluoro-phenoxy)-nicotinic acid (54629-13-9)

Guidance literature:

With potassium carbonate; copper dichloride; In N,N-dimethyl-formamide; at 140 ℃; for 10h;

DOI:10.1021/acs.jafc.0c00947

Reference yield:

4-Fluorophenol (371-41-5) → 2-(4-Fluoro-phenoxy)-nicotinic acid (54629-13-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 71 percent / Cs₂CO₃ / dimethylformamide / 18 h / 80 °C

2: 83 percent / aq. NaOH / ethanol / 3 h / Heating

With sodium hydroxide; caesium carbonate; In ethanol; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2005.10.026

upstream raw materials:

2-(4-fluoro-phenoxy)-nicotinic acid ethyl ester

4-Fluorophenol

ethyl 2-chloronicotinate

2-chloronicotinic acid

Downstream raw materials:

2-(4-Fluoro-phenoxy)-N-[4-(1-hydroxy-1-methyl-ethyl)-cyclohex-1-enylmethyl]-nicotinamide

2-(4-Fluoro-phenoxy)-N-(5-oxo-morpholin-2-ylmethyl)-nicotinamide

2-(4-Fluoro-phenoxy)-N-thiophen-2-ylmethyl-nicotinamide

N-(5-Chloro-thiophen-2-ylmethyl)-2-(4-fluoro-phenoxy)-nicotinamide

Refernces

• 1、 Cheng, Yuan,Fu, Ying,Gao, Shuang,Hu, Jia-Jun,Jiang, Mao-Jun,Ren, Tao,Ye, Fei,Zhao, Li-Xia,Zou, Yue-Li. "Design, Synthesis, and Herbicidal Activity of Novel Diphenyl Ether Derivatives Containing Fast Degrading Tetrahydrophthalimide". . p. 3729 - 3741. Retrieved 2020/04/09.
• 2、 -. "PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS". Page/Page column 122. . Retrieved 2010/07/10.