3,4-Dichloro-2-fluoropyridine

Base Information

• Chemical Name: 3,4-Dichloro-2-fluoropyridine
• CAS No.: 851179-03-8
• Molecular Formula: C5H2Cl2FN
• Molecular Weight: 165.98000
• European Community (EC) Number: 892-393-8
• DSSTox Substance ID: DTXSID20479234
• Wikidata: Q82313215
• Mol file: 851179-03-8.mol

Synonyms:3,4-Dichloro-2-fluoropyridine;851179-03-8;SCHEMBL7779048;DTXSID20479234;MFCD09031167;AKOS006290073;BS-52280;CS-0163170;FT-0710917;D84160;EN300-1722648

Chemical Property of 3,4-Dichloro-2-fluoropyridine

Chemical Property:

• Vapor Pressure: 0.725mmHg at 25°C
• Boiling Point: 191.1oC at 760 mmHg
• Flash Point: 69.4oC
• PSA: 12.89000
• Density: 1.498g/cm3
• LogP: 2.52750
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 164.9548326
• Heavy Atom Count: 9
• Complexity: 101

Purity/Quality:

98% ^*data from raw suppliers

3,4-Dichloro-2-fluoropyridine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C(=C1Cl)Cl)F

Technology Process of 3,4-Dichloro-2-fluoropyridine

There total 3 articles about 3,4-Dichloro-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: 80.0%

3-chloro-2-fluoropyridine (1480-64-4) → 3,4-dichloro-2-fluoropyridine (851179-03-8)

Guidance literature:

3-chloro-2-fluoropyridine; With n-butyllithium; In tetrahydrofuran; hexane; at -75 ℃; for 2h;

With 1,1,2-Trichloro-1,2,2-trifluoroethane; In tetrahydrofuran; hexane; at -75 ℃; for 1h;

DOI:10.1002/chem.200400837

Reference yield:

3-chloro-2-fluoropyridin-4-ylamine hydrochloride → 3,4-dichloro-2-fluoropyridine (851179-03-8)

Guidance literature:

With pyridine hydrofluoride; sodium nitrite; at -10 - 60 ℃; for 1.5h;

Reference yield:

2-fluoropyridine (372-48-5) → 3,4-dichloro-2-fluoropyridine (851179-03-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: BuLi; i-Pr₂NH / tetrahydrofuran; hexane

1.2: 85 percent / 1,1,2-trichloro-1,2,2-trifluoroethane / tetrahydrofuran; hexane

2.1: BuLi / tetrahydrofuran; hexane / 2 h / -75 °C

2.2: 80 percent / 1,1,2-trichloro-1,2,2-trifluoroethane / tetrahydrofuran; hexane / 1 h / -75 °C

With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane;

DOI:10.1002/chem.200400837

upstream raw materials:

3-chloro-2-fluoropyridine

2-fluoropyridine

Downstream raw materials:

2,4-difluoropyridine

3-chloro-2,4-difluoropyridine

Refernces

• 1、 Bobbio, Carla,Rausis, Thierry,Schlosser, Manfred. "Removal of fluorine from and introduction of fluorine into polyhalopyridines: An exercise in nucleophilic hetarenic substitution". . p. 1903 - 1910. Retrieved 2007/10/03.