3-Bromopyridine 1-oxide

Base Information

• Chemical Name: 3-Bromopyridine 1-oxide
• CAS No.: 2402-97-3
• Molecular Formula: C5H4BrNO
• Molecular Weight: 173.997
• Hs Code.: 29333990
• European Community (EC) Number: 624-394-4
• DSSTox Substance ID: DTXSID20178755
• Nikkaji Number: J348.050J
• Wikidata: Q72512006
• Mol file: 2402-97-3.mol

Synonyms:2402-97-3;3-Bromopyridine 1-oxide;3-Bromopyridine N-oxide;3-BROMOPYRIDINE-N-OXIDE;3-Bromo-pyridine 1-oxide;3-bromo-1-oxidopyridin-1-ium;Pyridine, 3-bromo-, 1-oxide;3-bromopyridin-1-ium-1-olate;MFCD01646056;Pyridine, 3-bromo-,1-oxide;3-bromopyridin-N-oxide;3-Bromopyridine1-oxide;3-brom-pyridine-N-oxide;3-bromo-pyridine-N-oxide;SCHEMBL5435;3-Bromopyridine N-oxide, 97%;DTXSID20178755;BBL100453;STL554247;AKOS005254628;AB09548;AS-19116;SY064837;FT-0663864;EN300-194230;W10462;A817048;AC-907/30002048

Chemical Property of 3-Bromopyridine 1-oxide

Chemical Property:

• Appearance/Colour: yellow solid
• Melting Point: 40-42 °C
• Boiling Point: 336.2 °C at 760 mmHg
• PKA: 0.01±0.10(Predicted)
• Flash Point: 157.1 °C
• PSA: 25.46000
• Density: 1.66 g/cm³
• LogP: 1.87760
• Storage Temp.: -20°C Freezer
• Sensitive.: Hygroscopic
• Solubility.: Methanol
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 172.94763
• Heavy Atom Count: 8
• Complexity: 78.8

Purity/Quality:

99%, ^*data from raw suppliers

3-Bromopyridine-N-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

Useful:

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

Technology Process of 3-Bromopyridine 1-oxide

There total 6 articles about 3-Bromopyridine 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: 97.0%

3-Bromopyridine (626-55-1,163928-56-1) → 3-bromopyridine N-oxide (2402-97-3)

Guidance literature:

With urea-hydrogen peroxide complex; potassium carbonate; trifluoroacetic anhydride; In 1,4-dioxane; at 12 - 50 ℃;

DOI:10.1016/j.tetlet.2008.09.124

Reference yield: 87.0%

3-nitropyridine N-oxide (2403-01-2) → 3-bromopyridine N-oxide (2402-97-3)

Guidance literature:

With Acetyl bromide; acetic acid; at 80 ℃; for 3h;

DOI:10.1016/j.poly.2019.02.040

Reference yield: 77.0%

3-Bromopyridine (626-55-1,163928-56-1) + water (7732-18-5) → 3-bromopyridine N-oxide (2402-97-3)

Guidance literature:

With dihydrogen peroxide; In dichloromethane; acetic acid;

upstream raw materials:

3-Bromopyridine

pyridin-3-ylamine

water

2,5-dibromopyridine N-oxide

Downstream raw materials:

3-aminopyridine-N-oxide

3-bromopyridine-2-carbonitrile

2-Cyano-5-bromopyridine

3-bromo-1-(p-cyanophenoxy)pyridinium tetrafluoroborate

Refernces

• 1、 Wang,Li,Ye,Guo,Jia. "Synthesis of dicationic carbazole and 4′-amino-(3,3'-bipyridine)-4-ol and the spectral characteristics of carbazoles". . p. 4632 - 4636. Retrieved 2013.
• 2、 -. "Synthesis method of (3-cyclopropylpyridin-2-yl) methylamine hydrochloride". Paragraph 0028-0031; 0047-0050; 0066-0069; 0085-0088. . Retrieved 2020/07/08.
• 3、 -. "Method for catalyzing vitamin A isomerization with ruthenium catalyst". Paragraph 0066; 0069-0070. . Retrieved 2020/04/22.