2-Bromopyridine 1-oxide

Base Information

• Chemical Name: 2-Bromopyridine 1-oxide
• CAS No.: 14305-17-0
• Molecular Formula: C5H4 Br N O
• Molecular Weight: 173.997
• Hs Code.: 2933399990
• NSC Number: 174129
• UNII: NEJ3BM17KC
• DSSTox Substance ID: DTXSID80306113
• Nikkaji Number: J231.931D
• Wikidata: Q27284829
• Mol file: 14305-17-0.mol

Synonyms:2-Bromopyridine 1-oxide;14305-17-0;2-Bromopyridine N-oxide;2-bromo-1-oxidopyridin-1-ium;2-Bromopyridine-1-oxide;Pyridine, 2-bromo-, 1-oxide;2-Bromopyridine-N-oxide;NEJ3BM17KC;NSC-174129;MFCD05663705;2-Bromopyridine1-oxide;NSC174129;UNII-NEJ3BM17KC;alpha-Bromopyridine N-oxide;2-BROMOPYRIDINEN-OXIDE;SCHEMBL1425201;DTXSID80306113;NJCMNBWUKHLGIC-UHFFFAOYSA-N;AMY19871;.ALPHA.-BROMOPYRIDINE N-OXIDE;AKOS015999527;SB53598;AS-30816;SY028296;FT-0712502;A808006;J-400281;Q27284829

Chemical Property of 2-Bromopyridine 1-oxide

Chemical Property:

• Vapor Pressure: 0.000223mmHg at 25°C
• Boiling Point: 336.2°Cat760mmHg
• PKA: -0.76±0.10(Predicted)
• Flash Point: 157.1°C
• Density: 1.66g/cm³
• XLogP3: 0.9
• 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:

98% ^*data from raw suppliers

2-Bromopyridine1-Oxide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromopyridine 1-oxide

There total 3 articles about 2-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%

2-bromo-pyridine (109-04-6) → 2-bromopyridine-N-oxide (14305-17-0)

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:

pyridine N-oxide (694-59-7) + mercury(II) diacetate (1600-27-7) + acetic acid (64-19-7,77671-22-8) → 2-bromopyridine-N-oxide (14305-17-0) + 2,6-dibromopyridin N-oxide (25373-69-7)

Guidance literature:

Behandeln des Reaktionsprodukts mit wss. Natriumchlorid-Loesung und mit Brom;

Reference yield:

→ 2-bromopyridine-N-oxide (14305-17-0)

Guidance literature:

2-Brom-pyridin, Peressigsaeure;

upstream raw materials:

pyridine N-oxide

mercury(II) diacetate

acetic acid

2-bromo-pyridine

Downstream raw materials:

2-bromo-pyridine

2-bromo-4-aminopyridine

2-(6-bromopyridin-2-yl)phenol

2-phenylpyridin N-oxide

Refernces

• 1、 Liao, Xudong,Zhou, Yi,Ai, Chengmei,Ye, Cuijiao,Chen, Guanghui,Yan, Zhaohua,Lin, Sen. "SO2F2-mediated oxidation of primary and tertiary amines with 30% aqueous H2O2 solution". supporting information. . Retrieved 2021/11/01.
• 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.