1-(2-Fluoropyridin-4-YL)ethanone

Base Information

• Chemical Name: 1-(2-Fluoropyridin-4-YL)ethanone
• CAS No.: 111887-72-0
• Molecular Formula: C₇H₆FNO
• Molecular Weight: 139.129
• Hs Code.: 2933399090
• European Community (EC) Number: 825-711-0
• DSSTox Substance ID: DTXSID901303117
• Nikkaji Number: J2.677.561B
• Mol file: 111887-72-0.mol

Synonyms:1-(2-FLUOROPYRIDIN-4-YL)ETHANONE;111887-72-0;Ethanone,1-(2-fluoro-4-pyridinyl)-;1-(2-Fluoro-4-pyridinyl)ethanone;1-(2-FLUOROPYRIDIN-4-YL)ETHAN-1-ONE;SCHEMBL1437180;OJYXKBMRTTZINQ-UHFFFAOYSA-N;DTXSID901303117;1-(2-fluoropyridin-4-yl)-ethanone;MFCD09263924;AKOS006329760;AB50237;AS-36024;CS-0105960;EN300-207301;Z1198219263

Chemical Property of 1-(2-Fluoropyridin-4-YL)ethanone

Chemical Property:

• Melting Point: 37.5-39.0 °C
• Boiling Point: 231.6±20.0 °C(Predicted)
• PKA: -2.13±0.10(Predicted)
• PSA: 29.96000
• Density: 1.175±0.06 g/cm3(Predicted)
• LogP: 1.42330
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 139.043341977
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

98%min ^*data from raw suppliers

1-(2-Fluoropyridin-4-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2-Fluoropyridin-4-YL)ethanone

There total 11 articles about 1-(2-Fluoropyridin-4-YL)ethanone 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-fluoro-N-methyl-N-(methyloxy)-4-pyridinecarboxamide (774238-83-4) + methylmagnesium bromide (75-16-1) → 1-(2-fluoropyridin-4-yl)ethan-1-one (111887-72-0)

Guidance literature:

In tetrahydrofuran; diethyl ether; at 0 ℃;

DOI:10.1021/jm901457w

Reference yield: 94.0%

methyl magnesium iodide (917-64-6) + 2-fluoro-N-methyl-N-(methyloxy)-4-pyridinecarboxamide (774238-83-4) → 1-(2-fluoropyridin-4-yl)ethan-1-one (111887-72-0)

Guidance literature:

methyl magnesium iodide; 2-fluoro-N-methyl-N-(methyloxy)-4-pyridinecarboxamide; In tetrahydrofuran; diethyl ether; at 0 - 5 ℃; for 2h;

With water; ammonium chloride; In tetrahydrofuran; diethyl ether;

Reference yield: 85.0%

1-(2-Fluoro-4-pyridyl)ethanol (137718-85-5) → 1-(2-fluoropyridin-4-yl)ethan-1-one (111887-72-0)

Guidance literature:

With manganese(IV) oxide; In toluene; for 12h; Heating;

DOI:10.1021/jo00028a032

upstream raw materials:

methyl (4-pyridyl) ketone

1-(2-Fluoro-4-pyridyl)ethanol

2-fluoropyridine

4-bromo-2-fluoropyridine

Downstream raw materials:

1-(2-methoxypyridin-4-yl)ethanone

2-bromo-1-(2-methoxypyridin-4-yl)ethanone

<2-Fluoro-4-(2-methyl-1,3-dioxan-2-yl)-3-pyridyl>methanol

<2-Fluoro-4-(2-methyl-1,3-dioxan-2-yl)-3-pyridyl>phenylmethanol