3,5-Dibromopyridine 1-oxide

Base Information

• Chemical Name: 3,5-Dibromopyridine 1-oxide
• CAS No.: 2402-99-5
• Molecular Formula: C5H3Br2NO
• Molecular Weight: 252.893
• Hs Code.: 29333990
• European Community (EC) Number: 661-328-3
• DSSTox Substance ID: DTXSID90347315
• Nikkaji Number: J80.475D
• Wikidata: Q72464975
• Mol file: 2402-99-5.mol

Synonyms:2402-99-5;3,5-Dibromopyridine 1-oxide;3,5-Dibromopyridine-N-oxide;3,5-DIBROMOPYRIDINE N-OXIDE;3,5-dibromo-1-oxidopyridin-1-ium;3,5-DIBROMOPYRIDINE1-OXIDE;Pyridine, 3,5-dibromo-,1-oxide;3,5-dibromopyridin-1-ium-1-olate;3,5-Dibromopyridine-1-oxide;SCHEMBL417479;3,5-dibromopyridine- N-oxide;3,5-Dibromo-pyridine 1-oxide;DTXSID90347315;AMY27355;MFCD00160750;AKOS015891794;3 pound not5-dibromopyridine- N-oxide;AS-37824;CS-0038131;D4326;FT-0654960;3,5-bis(bromanyl)-1-oxidanidyl-pyridin-1-ium;A817049;AC-907/30002040

Chemical Property of 3,5-Dibromopyridine 1-oxide

Chemical Property:

• Appearance/Colour: off-white to beige crystalline powder
• Vapor Pressure: 7.55E-06mmHg at 25°C
• Melting Point: 134-144 °C
• Refractive Index: 1.652
• Boiling Point: 387.1 °C at 760 mmHg
• PKA: -0.72±0.10(Predicted)
• Flash Point: 187.9 °C
• PSA: 25.46000
• Density: 2.15 g/cm³
• LogP: 2.64010
• Storage Temp.: Room temperature.
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 252.85609
• Heavy Atom Count: 9
• Complexity: 91

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,5-Dibromopyridine1-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-20/21/22-36/38
• Safety Statements: 36/37/39-26-22-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=[N+](C=C1Br)[O-])Br

Technology Process of 3,5-Dibromopyridine 1-oxide

There total 2 articles about 3,5-Dibromopyridine 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: 99.7%

3,5-dibromopyridine (625-92-3) → 3,5-dibromopyridine-N-oxide (2402-99-5)

Guidance literature:

With dihydrogen peroxide; trifluoroacetic acid; at 60 ℃; under 3750.38 Torr; Temperature;

Reference yield: 82.0%

→ 3,5-dibromopyridine-N-oxide (2402-99-5)

Guidance literature:

In ethyl acetate;

Reference yield: 91.0%

3,5-dibromopyridine-N-oxide (2402-99-5) → 3,5-dibromopyridine (625-92-3)

Guidance literature:

With titanium tetrachloride; sodium iodide; In acetonitrile; at 30 ℃; for 0.0833333h;

upstream raw materials:

3,5-dibromopyridine

Downstream raw materials:

2-chloro-3,5-dibromopyridine

3,5-dibromo-4-chloro-pyridine

3,5-dibromo-4-nitro-pyridine 1-oxide

6-bromo-3-(3-nitro-phenyl)-3H-oxazolo[4,5-b]pyridin-2-one

Refernces

• 1、 Bugaenko, Dmitry I.,Yurovskaya, Marina A.,Karchava, Alexander V.. "From Pyridine- N-oxides to 2-Functionalized Pyridines through Pyridyl Phosphonium Salts: An Umpolung Strategy". supporting information. p. 6099 - 6104. Retrieved 2021/08/03.
• 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.