3-Bromoquinoline 1-oxide

Base Information

• Chemical Name: 3-Bromoquinoline 1-oxide
• CAS No.: 22615-00-5
• Molecular Formula: C9H6 Br N O
• Molecular Weight: 224.057
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID40355900
• Nikkaji Number: J892.747B
• Wikidata: Q82134984
• Mol file: 22615-00-5.mol

Synonyms:3-bromoquinoline 1-oxide;22615-00-5;3-Bromoquinoline-1-oxide;3-bromo-1-oxidoquinolin-1-ium;3-bromo-quinoline 1-oxide;Quinoline, 3-bromo-, 1-oxide;3-bromoquinoline n-oxide;3-bromoquinoline1-oxide;3-bromoquinoline-N-oxide;SCHEMBL1285478;3-bromoquinolin-1-ium-1-olate;3-Bromoquinoline-1-oxide 97%;DTXSID40355900;LANTXZGXVINCPP-UHFFFAOYSA-N;XAA61500;MFCD01646407;AKOS015863307;BS-27829;FT-0615254;A878489;AE-842/32231029;W-206772

Chemical Property of 3-Bromoquinoline 1-oxide

Chemical Property:

• Vapor Pressure: 5.32E-05mmHg at 25°C
• Refractive Index: 1.647
• Boiling Point: 358.3°C at 760 mmHg
• Flash Point: 170.5°C
• PSA: 25.46000
• Density: 1.58g/cm³
• LogP: 3.03080
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 222.96328
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

98%min ^*data from raw suppliers

3-Bromoquinoline-1-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(C=[N+]2[O-])Br

Technology Process of 3-Bromoquinoline 1-oxide

There total 5 articles about 3-Bromoquinoline 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: 99.0%

3-bromoquinoline (5332-24-1) → 3-bromoquinoline N-oxide (22615-00-5)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In chloroform; at 20 ℃;

DOI:10.1055/s-2004-830876

Reference yield:

3-bromoquinoline (5332-24-1) + CH3 CO2 OH → 3-bromoquinoline N-oxide (22615-00-5)

Guidance literature:

In chloroform; acetic acid; acetone;

Reference yield:

3-bromo-1-oxy-quinolin-4-ylamine (58550-94-0) → 3-bromoquinoline N-oxide (22615-00-5)

Guidance literature:

With sulfuric acid; sodium nitrite; Beh_. einer aus obigen 3 Produkten bereitete Diazoniumsalz-Lsg_. mit Natriumhypophosphit;

upstream raw materials:

3-bromoquinoline

3-bromo-1-oxy-quinolin-4-ylamine

4-aminoquinoline 1-oxide

Downstream raw materials:

3-Bromcarbostyril

3-bromo-2-chloro-quinoline

3-bromo-6-nitroquinoline-N-oxide

1-benzoyloxy-3-bromo-6-nitro-1H-quinolin-2-one

Refernces

• 1、 Zoltewicz, John A.,Cruskie, Michael P.,Dill, Carlton D.. "Direct Preparation of N-Quaternized and N-Oxidized Polycyclic Azines by Palladium-Catalyzed Cross-Coupling. An Unequivocal Isomer Synthesis". . p. 264 - 267. Retrieved 1995.
• 2、 Burg, Finn,Buchelt, Christoph,Kreienborg, Nora M.,Merten, Christian,Bach, Thorsten. "Enantioselective Synthesis of Diaryl Sulfoxides Enabled by Molecular Recognition". supporting information. p. 1829 - 1834. Retrieved 2021/03/08.
• 3、 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.