3-Acetyl-2-fluoropyridine

Base Information

• Chemical Name: 3-Acetyl-2-fluoropyridine
• CAS No.: 79574-70-2
• Molecular Formula: C7H6FNO
• Molecular Weight: 139.129
• Hs Code.: 2933399090
• European Community (EC) Number: 872-911-9
• DSSTox Substance ID: DTXSID30507653
• Wikidata: Q72435213
• Mol file: 79574-70-2.mol

Synonyms:3-ACETYL-2-FLUOROPYRIDINE;79574-70-2;1-(2-fluoropyridin-3-yl)ethanone;1-(2-fluoropyridin-3-yl)ethan-1-one;MFCD07375072;ETHANONE, 1-(2-FLUORO-3-PYRIDINYL)-;SCHEMBL1811012;DTXSID30507653;KEEHTCBOJCVCNO-UHFFFAOYSA-N;1-(2-fluoropyridine-3-yl)ethanone;1-(2-Fluoro-3-pyridinyl)-ethanone;1-(2-fluoro-pyridin-3-yl)-ethanone;AKOS005762915;3-acetyl-2-fluoropyridine, AldrichCPR;AB41104;AC-7711;PS-9068;SY064682;A9916;AM20061515;CS-0044029;FT-0656432;EN300-136481;F31395;J-503017;Z1255403471

Chemical Property of 3-Acetyl-2-fluoropyridine

Chemical Property:

• Vapor Pressure: 0.059mmHg at 25°C
• Refractive Index: 1.492
• Boiling Point: 232.4 °C at 760 mmHg
• Flash Point: 94.4 °C
• PSA: 29.96000
• Density: 1.175 g/cm³
• LogP: 1.42330
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• 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:

99% ^*data from raw suppliers

3-Acetyl-2-fluoropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(N=CC=C1)F

Technology Process of 3-Acetyl-2-fluoropyridine

There total 4 articles about 3-Acetyl-2-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: 86.0%

1-(2-Fluoro-3-pyridyl)ethanol (79574-61-1) → 1-(2-fluoropyridin-3-yl)ethan-1-one (79574-70-2)

Guidance literature:

With pyridine-SO₃ complex; dimethyl sulfoxide; triethylamine; at 0 - 20 ℃; for 20h;

Reference yield: 34.0%

2-fluoropyridine (372-48-5) + N-Methoxy-N-methylacetamide (78191-00-1) → N-methyl-acetamide (79-16-3) + 1-(2-fluoropyridin-3-yl)ethan-1-one (79574-70-2)

Guidance literature:

2-fluoropyridine; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -70 ℃; for 0.5h;

N-Methoxy-N-methylacetamide; In tetrahydrofuran; hexane; at -70 - -60 ℃;

DOI:10.1016/j.tetlet.2008.11.125

Reference yield:

2-fluoropyridine (372-48-5) + N-Methoxy-N-methylacetamide (78191-00-1) → 1-(2-fluoropyridin-3-yl)ethan-1-one (79574-70-2)

Guidance literature:

2-fluoropyridine; With lithium diisopropyl amide; In tetrahydrofuran; hexanes; at -78 ℃; for 0.5h;

N-Methoxy-N-methylacetamide; In tetrahydrofuran; hexanes; at -78 - 20 ℃; for 18h;

With hydrogenchloride; water; In tetrahydrofuran; hexanes; at 20 ℃;

upstream raw materials:

1-(2-Fluoro-3-pyridyl)ethanol

2-fluoropyridine

N-Methoxy-N-methylacetamide

Downstream raw materials:

1-(2-amino-3-pyridinyl)-1-ethanone

3-methylfuro[2,3-b]pyridine-2-carboxylic acid ethyl ester

2-[[(3-{[5-chloro-4-(3-chloro-5-cyanophenoxy)-1H-1,2,3-benzotriazol-1-yl]methyl}-1H-pyrazolo[3,4-b]pyridin-1-yl)carbonyl](methyl)amino]-N-methylethanaminium chloride

2-[[(3-{[5-chloro-4-(3-chloro-5-cyanophenoxy)-1H-1,2,3-benzotriazol-1-yl]methyl}-1H-pyrazolo[3,4-b]pyridin-1-yl)carbonyl](methyl)amino]ethanaminium chloride

Refernces

• 1、 Beutner, Gregory L.,Kuethe, Jeffrey T.,Yasuda, Nobuyoshi. "A facile synthesis of 2,3-disubstituted furo[2,3-b]pyridines". supporting information; experimental part. p. 781 - 784. Retrieved 2009/05/11.
• 2、 -. "HIV reverse transcriptase inhibitors". Page/Page column 52-53. . Retrieved 2010/11/25.