4-Ethyl-3-fluoropyridine

Base Information

• Chemical Name: 4-Ethyl-3-fluoropyridine
• CAS No.: 137234-73-2
• Molecular Formula: C₇H₈FN
• Molecular Weight: 125.146
• European Community (EC) Number: 969-784-8
• DSSTox Substance ID: DTXSID70591677
• Wikidata: Q82485512
• Mol file: 137234-73-2.mol

Synonyms:4-Ethyl-3-fluoropyridine;137234-73-2;4-Ethyl-5-fluoropyridine;Pyridine, 4-ethyl-3-fluoro- (9CI);Pyridine, 4-ethyl-3-fluoro-;SCHEMBL805499;DTXSID70591677;XYQUZSHKFDJKBF-UHFFFAOYSA-N;AKOS005063656;SB53747;DB-028865;DB-381141;CS-0216117;EN300-3402223;A886542;A1-30448

Chemical Property of 4-Ethyl-3-fluoropyridine

Chemical Property:

• PSA: 12.89000
• LogP: 1.78310
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 125.064077422
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

97% ^*data from raw suppliers

4-Ethyl-3-fluoropyridine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C=NC=C1)F

Technology Process of 4-Ethyl-3-fluoropyridine

There total 3 articles about 4-Ethyl-3-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: 35.0%

ethyl iodide (75-03-6) → 4-ethyl-3-fluoropyridine (137234-73-2)

Guidance literature:

3-Fluoropyridine; With n-butyllithium; diisopropylamine; In tetrahydrofuran; at -78 ℃; for 1h;

ethyl iodide; In tetrahydrofuran; at 20 ℃; for 0.5h;

Reference yield:

3-Fluoropyridine (372-47-4) + ethyl iodide (75-03-6) → 4-ethyl-3-fluoropyridine (137234-73-2)

Guidance literature:

With lithium diisopropyl amide; Multistep reaction; 1) THF, -70 deg C, 2) THF, -70 deg C to room temperature;

DOI:10.1016/0960-894X(96)00363-0

Reference yield:

4-Ethylpyridine (536-75-4,151103-55-8) → 4-ethyl-3-fluoropyridine (137234-73-2)

Guidance literature:

With potassium hexafluoronickelate(IV); cesium fluoride; In acetonitrile; at 20 ℃; Reagent/catalyst; regioselective reaction; Catalytic behavior; Electrolysis; Inert atmosphere;

DOI:10.1007/s11172-016-1513-x

upstream raw materials:

3-Fluoropyridine

ethyl iodide

4-Ethylpyridine

Downstream raw materials:

C₇H₈FNO