3-Fluoropyridine 1-oxide

Base Information

• Chemical Name: 3-Fluoropyridine 1-oxide
• CAS No.: 695-37-4
• Molecular Formula: C5H4FNO
• Molecular Weight: 113.091
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40219730
• Nikkaji Number: J946.823D
• Wikidata: Q72476814
• Mol file: 695-37-4.mol

Synonyms:3-Fluoropyridine 1-oxide;695-37-4;3-Fluoropyridine-N-oxide;3-Fluoropyridine N-oxide;3-fluoro-1-oxidopyridin-1-ium;3-fluoropyridin-1-ium-1-olate;Pyridine, 3-fluoro-, 1-oxide;3-FLUOROPYRIDINEN-OXIDE;3-Fluoropyridine1-oxide;1-oxido-3-fluoropyridine;3-Fluoropyridine-1-oxide;3-fluoro-pyridine 1-oxide;3-fluoro-pyridine-1-oxide;SCHEMBL506482;DTXSID40219730;QVGBDRDOWKIYHK-UHFFFAOYSA-N;MFCD03095181;AKOS006222931;AM87150;3-fluoranyl-1-oxidanidyl-pyridin-1-ium;AS-59796;FT-0654867;EN300-172734;A836536;J-512560

Chemical Property of 3-Fluoropyridine 1-oxide

Chemical Property:

• Vapor Pressure: 0.00892mmHg at 25°C
• Melting Point: 65-68 °C
• Refractive Index: 1.494
• Boiling Point: 274.7 °C at 760 mmHg
• PKA: 0.16±0.10(Predicted)
• Flash Point: 119.9 °C
• PSA: 25.46000
• Density: 1.18 g/cm³
• LogP: 1.25420
• Water Solubility.: Slightly soluble in water.
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 113.027691913
• Heavy Atom Count: 8
• Complexity: 78.8

Purity/Quality:

99% ^*data from raw suppliers

3-Fluoropyridine1-Oxide ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C[N+](=C1)[O-])F

Technology Process of 3-Fluoropyridine 1-oxide

There total 3 articles about 3-Fluoropyridine 1-oxide 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: 94.21%

3-Fluoropyridine (372-47-4) → 3-fluoropyridine-1-oxide (695-37-4)

Guidance literature:

With dihydrogen peroxide; acetic acid; In water; at 70 ℃; for 8h;

Reference yield: 27.0%

3-bromopyridine N-oxide (2402-97-3) → 3-fluoropyridine-1-oxide (695-37-4)

Guidance literature:

With tetrabutyl ammonium fluoride; In dimethyl sulfoxide; at 120 ℃; for 0.5h;

Reference yield:

→ 3-fluoropyridine-1-oxide (695-37-4)

Guidance literature:

DOI:10.1021/jo00927a002 DOI:10.1039/jr9630004007

upstream raw materials:

3-Fluoropyridine

3-bromopyridine N-oxide

Downstream raw materials:

4-(pyridin-3-ylamino)benzonitrile

3-methoxypyridine N-oxide

3-methoxypyridine

5-fluoro-2-(1-(3-methylbenzyl)-1H-1,2,3-triazol-5-yl)pyridine 1-oxide

Refernces

• 1、 -. "PYRAZINE COMPOUND". Paragraph 0246. . Retrieved 2019/07/11.
• 2、 Schie?l, Jasmin,Stein, Philipp M.,Stirn, Judith,Emler, Kirsten,Rudolph, Matthias,Rominger, Frank,Hashmi, A. Stephen K.. "Strategic Approach on N-Oxides in Gold Catalysis – A Case Study". supporting information. p. 725 - 738. Retrieved 2018/10/20.