2,4-Difluoro-3-iodopyridine

Base Information

• Chemical Name: 2,4-Difluoro-3-iodopyridine
• CAS No.: 837364-88-2
• Molecular Formula: C₅H₂F₂IN
• Molecular Weight: 240.979
• Hs Code.: 2933399990
• European Community (EC) Number: 882-757-4
• DSSTox Substance ID: DTXSID30479260
• Wikidata: Q72463085
• Mol file: 837364-88-2.mol

Synonyms:2,4-DIFLUORO-3-IODOPYRIDINE;837364-88-2;2,4-Difluoro-3-iodo-pyridine;MFCD09029861;Pyridine, 2,4-difluoro-3-iodo-;SCHEMBL2372078;DTXSID30479260;AYKASHJPLZSRDC-UHFFFAOYSA-N;AMY12448;BCP15226;RB1137;2 pound not4-Difluoro-3-iodopyridine;AKOS015919725;DS-1745;AC-25205;CS-0005569;FT-0688470;A23626;EN300-6512621

Chemical Property of 2,4-Difluoro-3-iodopyridine

Chemical Property:

• PSA: 12.89000
• Density: 2.129
• LogP: 1.96440
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Light Sensitive
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 240.92000
• Heavy Atom Count: 9
• Complexity: 101

Purity/Quality:

98% ^*data from raw suppliers

2,4-Difluoro-3-iodopyridine 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C(=C1F)I)F

Technology Process of 2,4-Difluoro-3-iodopyridine

There total 6 articles about 2,4-Difluoro-3-iodopyridine 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: 93.0%

2,4-difluoro-3-(triethylsilyl)pyridine (837364-97-3) → 2,4-difluoro-3-iodopyridine (837364-88-2)

Guidance literature:

With Iodine monochloride;

DOI:10.1021/jo047962z

Reference yield: 82.0%

2,4-difluoropyridine (34941-90-7) → 2,4-difluoro-3-iodopyridine (837364-88-2)

Guidance literature:

2,4-difluoropyridine; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -100 ℃; for 0.75h;

With iodine; In tetrahydrofuran; hexane; at -75 ℃; for 0.25h;

DOI:10.1021/jo047962z

Reference yield:

2,4,6-trifluoro-3-(triethylsilyl)pyridine (837364-95-1) → 2,4-difluoro-3-iodopyridine (837364-88-2)

Guidance literature:

Multi-step reaction with 3 steps

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

2: 89 percent / CuSO₄*5H₂O / H₂O / 2 h / Heating

3: 93 percent / ICl

With Iodine monochloride; hydrazine hydrate; copper(II) sulfate; In tetrahydrofuran; water;

DOI:10.1021/jo047962z

upstream raw materials:

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

2,4-difluoropyridine

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

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

Downstream raw materials:

4-fluoro-2-hydrazino-5-(trimethylsilyl)pyridine

4,6-difluoro-3-pyridinecarboxylic acid

2,4-difluoro-5-iodopyridine

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.