2-Bromo-4,6-difluoropyridine

Base Information

• Chemical Name: 2-Bromo-4,6-difluoropyridine
• CAS No.: 41404-63-1
• Molecular Formula: C5H2BrF2N
• Molecular Weight: 193.9768864
• Hs Code.: 2933399090
• European Community (EC) Number: 865-824-2
• DSSTox Substance ID: DTXSID30479265
• Mol file: 41404-63-1.mol

Synonyms:2-Bromo-4,6-difluoropyridine;41404-63-1;2-Bromo-4,6-difluoro-pyridine;SCHEMBL25343012;DTXSID30479265;AKOS006291328;CS-W007201;AC-17811;BS-27971;EN300-177399;A873062

Chemical Property of 2-Bromo-4,6-difluoropyridine

Chemical Property:

• Vapor Pressure: 0.738mmHg at 25°C
• Refractive Index: 1.508
• Boiling Point: 190.8°C at 760 mmHg
• PKA: -6.01±0.10(Predicted)
• Flash Point: 69.2°C
• PSA: 12.89000
• Density: 1.808g/cm³
• LogP: 2.12230
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 192.93387
• Heavy Atom Count: 9
• Complexity: 101

Purity/Quality:

98%min ^*data from raw suppliers

2-bromo-4,6-difluoropyridine 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(N=C1F)Br)F

Technology Process of 2-Bromo-4,6-difluoropyridine

There total 5 articles about 2-Bromo-4,6-difluoropyridine 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: 71.0%

2,4-difluoro-6-hydrazinopyridine (837364-98-4) → 2-bromo-4,6-difluoropyridine (41404-63-1)

Guidance literature:

With bromine; In chloroform; for 3h; Heating;

DOI:10.1021/jo047962z

Reference yield:

2,4,6-trifluoro-3-(triethylsilyl)pyridine (837364-95-1) → 2-bromo-4,6-difluoropyridine (41404-63-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 98 percent / H₂NNH₂*H₂O / tetrahydrofuran / 2 h / 50 °C

2: 85 percent / tetrabutylammonium fluoride trihydrate / tetrahydrofuran / 2 h / 25 °C

3: 71 percent / Br₂ / CHCl₃ / 3 h / Heating

With tetrabutyl ammonium fluoride; bromine; hydrazine hydrate; In tetrahydrofuran; chloroform;

DOI:10.1021/jo047962z

Reference yield:

2,4-difluoro-6-hydrazino-3-(triethylsilyl)pyridine (837364-96-2) → 2-bromo-4,6-difluoropyridine (41404-63-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / tetrabutylammonium fluoride trihydrate / tetrahydrofuran / 2 h / 25 °C

2: 71 percent / Br₂ / CHCl₃ / 3 h / Heating

With tetrabutyl ammonium fluoride; bromine; In tetrahydrofuran; chloroform;

DOI:10.1021/jo047962z

upstream raw materials:

2,4-difluoro-6-hydrazinopyridine

2,4,6-trifluoro-3-(triethylsilyl)pyridine

2,4-difluoro-6-hydrazino-3-(triethylsilyl)pyridine

2,4,6-trifluoropyridine

Downstream raw materials:

4,6-difluoro(pyridin-2-yl)carboxylic acid

Refernces

• 1、 Schlosser, Manfred,Rausis, Thierry,Bobbio, Carla. "Rerouting nucleophilic substitution from the 4-position to the 2- or 6-position of 2,4-dihalopyridines and 2,4,6-trihalopyridines: The solution to a long-standing problem". . p. 127 - 129. Retrieved 2007/10/03.