5-Cyano-2-fluoropyridine

Base Information

• Chemical Name: 5-Cyano-2-fluoropyridine
• CAS No.: 3939-12-6
• Molecular Formula: C6H3FN2
• Molecular Weight: 122.102
• Hs Code.: 2933399090
• Mol file: 3939-12-6.mol

Synonyms:Nicotinonitrile,6-fluoro- (7CI,8CI);

Chemical Property of 5-Cyano-2-fluoropyridine

Chemical Property:

• Vapor Pressure: 0.095mmHg at 25°C
• Melting Point: 51-52℃
• Refractive Index: 1.51
• Boiling Point: 223.768 °C at 760 mmHg
• PKA: -3.88±0.10(Predicted)
• Flash Point: 89.132 °C
• PSA: 36.68000
• Density: 1.240 g/cm³
• LogP: 1.09238
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: Slightly soluble in water.

Purity/Quality:

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

5-Cyano-2-fluoropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Uses: It is an important raw material and intermediate used in organic synthesis agrochemical, pharmaceutical and dyestuff field.

Technology Process of 5-Cyano-2-fluoropyridine

There total 2 articles about 5-Cyano-2-fluoropyridine 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: 59.0%

6-chloronicotinonitrile (33252-28-7) → 6-fluoro-3-pyridinecarbonitrile (3939-12-6)

Guidance literature:

With tetrabutyl-ammonium chloride; In N,N-dimethyl-formamide; acetonitrile; at 50 ℃; for 0.666667h; under 26252.6 Torr; Flow reactor;

DOI:10.1039/c7cc09035h

Reference yield:

→ 6-fluoro-3-pyridinecarbonitrile (3939-12-6)

Guidance literature:

2-Chlor-5-cyano-pyridin, KF;

DOI:10.1039/j29700001516

Reference yield: 99.0%

6-((2-(2,4-difluorophenyl)oxiran-2-yl)difluoromethyl)pyridin-3-ol (1416860-92-8) + 6-fluoro-3-pyridinecarbonitrile (3939-12-6) → 6-((6-((2-(2,4-difluorophenyl)oxiran-2-yl)difluoromethyl)pyridin-3-yl)oxy)nicotinonitrile

Guidance literature:

With caesium carbonate; In dimethyl sulfoxide; at 25 ℃; for 16h; Inert atmosphere;

upstream raw materials:

6-chloronicotinonitrile

Downstream raw materials:

(R)-tert-butyl 3-((5-cyanopyridin-2-yl)amino)pyrrolidine-1-carboxylate

6-(4-formylphenoxy)-3-pyridinecarbonitrile

6-(4-formylphenoxy)pyridine-3-carboxamide

6-[4-[ [2-(3-pyridyl)pyrrolidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide

Refernces

• 1、 Johansen,Lindhardt. "Nucleophilic fluorination facilitated by a CsF-CaF2 packed bed reactor in continuous flow". supporting information. p. 825 - 828. Retrieved 2018/02/06.
• 2、 Schimler, Sydonie D.,Ryan, Sarah J.,Bland, Douglas C.,Anderson, John E.,Sanford, Melanie S.. "Anhydrous Tetramethylammonium Fluoride for Room-Temperature SNAr Fluorination". . p. 12137 - 12145. Retrieved 2016/01/09.