5-Fluoro-2-methylpyridine

Base Information

• Chemical Name: 5-Fluoro-2-methylpyridine
• CAS No.: 31181-53-0
• Molecular Formula: C6H6FN
• Molecular Weight: 111.119
• Hs Code.: 2933399090
• European Community (EC) Number: 814-475-4
• DSSTox Substance ID: DTXSID10376521
• Wikidata: Q72474885
• Mol file: 31181-53-0.mol

Synonyms:5-fluoro-2-methylpyridine;31181-53-0;5-fluoro-2-picoline;3-fluoro-6-methylpyridine;3-Fluoro-6-picoline;5-fluoro-2-methyl-pyridine;PYRIDINE, 5-FLUORO-2-METHYL-;MFCD03095271;edtadisodium;2-METHYL-5-FLUOROPYRIDINE;5-Fluoro -2-picoline;SCHEMBL424656;DTXSID10376521;LXAHHHIGZXPRKQ-UHFFFAOYSA-N;BCP05119;AKOS005146144;AC-5403;AM62404;CS-W006280;PB18589;PS-9260;SY003227;A5650;FT-0638956;FT-0653090;EN300-42353;J-018269;J-517521

Chemical Property of 5-Fluoro-2-methylpyridine

Chemical Property:

• Vapor Pressure: 23.4mmHg at 25°C
• Refractive Index: 1.477
• Boiling Point: 114.7 °C at 760 mmHg
• PKA: 3.53±0.10(Predicted)
• Flash Point: 23.1 °C
• PSA: 12.89000
• Density: 1.077 g/cm³
• LogP: 1.52910
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 111.048427358
• Heavy Atom Count: 8
• Complexity: 74.9

Purity/Quality:

99% ^*data from raw suppliers

5-Fluoro-2-methylpyridine 98.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xi
• Hazard Codes: T,Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(C=C1)F

Technology Process of 5-Fluoro-2-methylpyridine

There total 3 articles about 5-Fluoro-2-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: 55.0%

5-Amino-2-methylpyridine (80287-53-2,3430-14-6) → 2‐methyl‐5‐fluoropyridine (31181-53-0)

Guidance literature:

5-Amino-2-methylpyridine; With hydrogenchloride; sodium nitrite; In water; at -5 - 0 ℃; for 0.333333h;

With hexafluorophosphoric acid; In water;

With sodium hydroxide; more than 3 stages;

Reference yield:

6-methylpyridin-3-yl sulfurofluoridate → 2‐methyl‐5‐fluoropyridine (31181-53-0)

Guidance literature:

With tetramethylammonium fluoride; In N,N-dimethyl-formamide; at 100 ℃; for 24h; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1021/jacs.6b12911

Reference yield:

→ 2‐methyl‐5‐fluoropyridine (31181-53-0)

Guidance literature:

aus 5-Amino-2-picolin -> entspr. Diazoniumfluoroborat -> erhitzen;

DOI:10.1021/jm00300a025

upstream raw materials:

5-Amino-2-methylpyridine

Downstream raw materials:

2-(bromomethyl)-5-fluoropyridine

5-fluoropicolinic acid

5-fluoro-2-methyl-4-nitropyridine 1-oxide

4-chloro-5-fluoro-2-(hydroxymethyl)pyridine