2,6-Difluoro-3-iodopyridine

Base Information

• Chemical Name: 2,6-Difluoro-3-iodopyridine
• CAS No.: 685517-67-3
• Molecular Formula: C5H2F2IN
• Molecular Weight: 240.979
• Hs Code.: 2933399090
• European Community (EC) Number: 835-261-7
• DSSTox Substance ID: DTXSID00599727
• Wikidata: Q82495660
• Mol file: 685517-67-3.mol

Synonyms:2,6-Difluoro-3-iodopyridine;685517-67-3;3-Iodo-2,6-difluoropyridine;2,6-difluoro-3-iodo-pyridine;MFCD09743595;Pyridine,2,6-difluoro-3-iodo-;Pyridine, 2,6-difluoro-3-iodo-;SCHEMBL1300595;DTXSID00599727;UTWLONSABCGCBR-UHFFFAOYSA-N;AMY17887;AKOS016038691;PS-7580;SY028905;DB-082130;CS-0036467;D5141;EN300-200840;W10872;A836183

Chemical Property of 2,6-Difluoro-3-iodopyridine

Chemical Property:

• Vapor Pressure: 0.102mmHg at 25°C
• Melting Point: 38.0 to 42.0 °C
• Refractive Index: 1.572
• Boiling Point: 230.1 °C at 760 mmHg
• PKA: -8.11±0.10(Predicted)
• Flash Point: 92.9 °C
• PSA: 12.89000
• Density: 2.129 g/cm³
• LogP: 1.96440
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: soluble in Methanol
• XLogP3: 2.4
• 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%,99%, ^*data from raw suppliers

2,6-Difluoro-3-iodopyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NC(=C1I)F)F

Technology Process of 2,6-Difluoro-3-iodopyridine

There total 3 articles about 2,6-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: 96.0%

2,6-difluoro pyridine (1513-65-1) → 2,6-difluoro-3-iodopyridine (685517-67-3)

Guidance literature:

With iodine; lithium diisopropyl amide; In tetrahydrofuran; hexane;

DOI:10.1002/ejoc.200300649

Reference yield: 52.0%

2,6-dichloro-3-iodo-pyridine (148493-37-2) → 2,6-difluoro-3-iodopyridine (685517-67-3)

Guidance literature:

With cesium fluoride; In dimethyl sulfoxide; at 90 ℃; for 1.5h;

DOI:10.1016/j.tetlet.2015.09.057

Reference yield:

2,6-difluoro pyridine (1513-65-1) + lithium diisopropyl amide (4111-54-0) → 2,6-difluoro-3-iodopyridine (685517-67-3)

Guidance literature:

upstream raw materials:

2,6-difluoro pyridine

lithium diisopropyl amide

2,6-dichloro-3-iodo-pyridine

Downstream raw materials:

2,6-difluoro-4-iodopyridine

2,6-difluoropyridine-3-carbaldehyde

2,6-difluoronicotinic acid

3-bromo-2,6-difluoro-pyridine

Refernces

• 1、 Huang, Jingjia,Hu, Gang,An, Shaoyu,Chen, Dongding,Li, Minglei,Li, Pingfan. "Synthesis of N-Alkylpyridin-4-ones and Thiazolo[3,2- a]pyridin-5-ones through Pummerer-Type Reactions". . p. 9758 - 9769. Retrieved 2019/08/08.
• 2、 Katoh, Taisuke,Tomata, Yoshihide,Tsukamoto, Tetsuya,Nakada, Yoshihisa. "Facile preparation of 3-substituted-2,6-difluoropyridines: Application to the synthesis of 2,3,6-trisubstituted pyridines". supporting information. p. 6043 - 6046. Retrieved 2015/10/28.