3-Pyridinecarbonyl chloride, 6-fluoro- (9CI)

Base Information

• Chemical Name: 3-Pyridinecarbonyl chloride, 6-fluoro- (9CI)
• CAS No.: 65352-94-5
• Molecular Formula: C6H3 Cl F N O
• Molecular Weight: 159.547
• Hs Code.: 2933399090
• Mol file: 65352-94-5.mol

Synonyms:6-Fluoronicotinoylchloride; 6-Fluoropyridine-3-carbonyl chloride

Chemical Property of 3-Pyridinecarbonyl chloride, 6-fluoro- (9CI)

Chemical Property:

• Vapor Pressure: 0.123mmHg at 25°C
• Refractive Index: 1.522
• Boiling Point: 90-94oC/15mm
• PKA: -3.03±0.10(Predicted)
• Flash Point: 86.2oC
• PSA: 29.96000
• Density: 1.408g/cm3
• LogP: 1.59970
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Solubility.: Benzene (Slightly), Chloroform (Slightly), DMSO (Slightly)

Purity/Quality:

98%min ^*data from raw suppliers

2-Fluoropyridine-5-carbonylchloride(~80%) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-Fluoropyridine-5-carbonyl chloride

Technology Process of 3-Pyridinecarbonyl chloride, 6-fluoro- (9CI)

There total 5 articles about 3-Pyridinecarbonyl chloride, 6-fluoro- (9CI) 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: 100.0%

6-fluoronicotinic acid (403-45-2) → 6-fluoronicotinoyl chloride (65352-94-5)

Guidance literature:

With thionyl chloride; for 2h; Reflux;

DOI:10.1016/j.cclet.2013.04.047

Reference yield:

2-fluoro-5-methylpyridine (2369-19-9) → 6-fluoronicotinic acid (403-45-2) + 6-fluoronicotinoyl chloride (65352-94-5)

Guidance literature:

With hydrogenchloride; potassium permanganate; In water;

Reference yield:

(5-methyl-pyridin-2-yl)amine (1603-41-4) → 6-fluoronicotinoyl chloride (65352-94-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) NaNO₂, 2.) 48percent aq. HBF₄

2: 45 percent / KMnO₄ / H₂O / 4.5 h / 100 °C

3: 86 percent / thionyl chloride / 25 h / Heating

With potassium permanganate; tetrafluoroboric acid; thionyl chloride; sodium nitrite; In water;

DOI:10.1021/jm00168a021

upstream raw materials:

6-fluoronicotinic acid

(5-methyl-pyridin-2-yl)amine

2-fluoro-5-methylpyridine

oxalyl dichloride

Downstream raw materials:

N-<(2-fluoropyridin-5-yl)carbonyl>pyrrolidine-2-carboxylic acid

(R)-4-[5-(4-bromo-3,5-difluoro-phenylcarbamoyl)pyridin-2-yl]-3-methyl-piperazine-1-carboxylic acid tert-butyl ester

N-(4-Bromo-3-methyl-phenyl)-6-fluoro-nicotinamide

N-(4-bromo-2-chloro-5-trifluoromethoxy-phenyl)-6-fluoro-nicotinamide

Refernces

• 1、 Chen, Lei,Zhu, Ling,Chen, Jinli,Chen, Wei,Qian, Xuhong,Yang, Qing. "Crystal structure-guided design of berberine-based novel chitinase inhibitors". . p. 1937 - 1943. Retrieved 2020/11/12.
• 2、 -. "PROLONGED ECTOPARASITE-CONTROLLING AGENT FOR ANIMAL". Paragraph 0180. . Retrieved 2019/04/16.