2-Fluoro-4-iodo-5-methylpyridine

Base Information

• Chemical Name: 2-Fluoro-4-iodo-5-methylpyridine
• CAS No.: 153034-94-7
• Molecular Formula: C6H5FIN
• Molecular Weight: 237.015
• Hs Code.: 29333999
• European Community (EC) Number: 663-760-8
• DSSTox Substance ID: DTXSID90434951
• Nikkaji Number: J566.212E
• Wikidata: Q72473685
• Mol file: 153034-94-7.mol

Synonyms:153034-94-7;2-Fluoro-4-iodo-5-methylpyridine;2-fluoro-4-iodo-5-picoline;6-fluoro-4-iodo-b-picoline;2-fluoro-4-iodo-5-methyl-pyridine;MFCD03095297;Pyridine, 2-fluoro-4-iodo-5-methyl-;6-Fluoro-4-iodo-3-picoline;2-fluoro-4-iodo-5-methyl pyridine;SCHEMBL363228;DTXSID90434951;BVKQLNXPPQEELX-UHFFFAOYSA-N;BCP06899;AKOS005258626;CS-W019693;GS-6470;2-Fluoro-4-iodo-5-methylpyridine, 97%;AC-33389;SY022290;A3363;AM20061834;F1035;FT-0650034;EN300-170395;W-201369

Chemical Property of 2-Fluoro-4-iodo-5-methylpyridine

Chemical Property:

• Vapor Pressure: 0.048mmHg at 25°C
• Melting Point: 40-45℃
• Refractive Index: 1.587
• Boiling Point: 244.343 °C at 760 mmHg
• PKA: -1.53±0.18(Predicted)
• Flash Point: 101.575 °C
• PSA: 12.89000
• Density: 1.893 g/cm³
• LogP: 2.13370
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• Sensitive.: Light Sensitive
• Solubility.: soluble in Methanol
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 236.94507
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

99% ^*data from raw suppliers

2-Fluoro-4-iodo-5-methylpyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-41-22
• Safety Statements: 26-36-36/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C(C=C1I)F

Technology Process of 2-Fluoro-4-iodo-5-methylpyridine

There total 3 articles about 2-Fluoro-4-iodo-5-methylpyridine 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: 90.0%

2-Fluoro-3-iodo-5-methylpyridine (153034-78-7) → 2-Fluoro-4-iodo-5-methylpyridine (153034-94-7)

Guidance literature:

2-Fluoro-3-iodo-5-methylpyridine; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃;

With water; In tetrahydrofuran; at -78 - 20 ℃;

DOI:10.1016/j.bmcl.2004.07.004

Reference yield:

2-fluoro-5-methylpyridine (2369-19-9) → 2-Fluoro-4-iodo-5-methylpyridine (153034-94-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: LDA / tetrahydrofuran / -78 °C

1.2: 74 percent / I₂ / tetrahydrofuran / -78 - 20 °C

2.1: LDA / tetrahydrofuran / -78 °C

2.2: 90 percent / H₂O / tetrahydrofuran / -78 - 20 °C

With lithium diisopropyl amide; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2004.07.004

Reference yield:

→ 2-Fluoro-4-iodo-5-methylpyridine (153034-94-7)

Guidance literature:

upstream raw materials:

2-Fluoro-3-iodo-5-methylpyridine

2-fluoro-5-methylpyridine

Downstream raw materials:

4-iodo-6-methoxypyridine-3-carbaldehyde

(2-chloro-5-methylpyridin-4-yl)methanol

methyl 2-chloro-5-methylisonicotinate

N-methyl-2-({5-methyl-2-[(2-oxo-2.3-dihydro-1H-indol-5-yl)amino]-4-pyridinyl}amino)benzamide

Refernces

• 1、 -. "SALT OF PYRAZOLOQUINOLINE DERIVATIVE, AND CRYSTAL THEREOF". Paragraph 0166-0168. . Retrieved 2016/05/02.
• 2、 -. "HETEROCYCLIC KINASE INHIBITORS". Page 89. . Retrieved 2010/02/08.