Pyridine, 3-(3-chlorophenoxy)-4-nitro-, 1-oxide

Base Information

• Chemical Name: Pyridine, 3-(3-chlorophenoxy)-4-nitro-, 1-oxide
• CAS No.: 509076-65-7
• Molecular Formula: C11H7ClN2O4
• Molecular Weight: 266.641
• DSSTox Substance ID: DTXSID30458818
• Wikidata: Q82282352
• Mol file: 509076-65-7.mol

Synonyms:Pyridine, 3-(3-chlorophenoxy)-4-nitro-, 1-oxide;509076-65-7;SCHEMBL4381239;DTXSID30458818;HPDZPYLPKWOQJT-UHFFFAOYSA-N;4-nitro-3-(3-chlorophenoxy)-pyridine N-oxide

Chemical Property of Pyridine, 3-(3-chlorophenoxy)-4-nitro-, 1-oxide

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 266.0094344
• Heavy Atom Count: 18
• Complexity: 299

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)OC2=C(C=C[N+](=C2)[O-])[N+](=O)[O-]

Technology Process of Pyridine, 3-(3-chlorophenoxy)-4-nitro-, 1-oxide

There total 1 articles about Pyridine, 3-(3-chlorophenoxy)-4-nitro-, 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: 42.0%

3-Bromo-4-nitropyridine N-oxide (1678-49-5) + 3-monochlorophenol (108-43-0) → 4-nitro-3-(3-chlorophenoxy)pyridine N-oxide (509076-65-7)

Guidance literature:

3-monochlorophenol; With sodium hydroxide;

3-Bromo-4-nitropyridine N-oxide; In acetonitrile; Heating;

DOI:10.1021/jm049480l

Reference yield:

4-nitro-3-(3-chlorophenoxy)pyridine N-oxide (509076-65-7) → N-[3-(3-chloro-phenoxy)-pyridin-4-yl]-C,C,C-trifluoro-methanesulfonamide

Guidance literature:

Multi-step reaction with 2 steps

1: Fe; aq. acetic acid / Heating

2: K₂CO₃ / acetonitrile

With iron; potassium carbonate; acetic acid; In acetonitrile;

DOI:10.1021/jm049480l

Reference yield:

4-nitro-3-(3-chlorophenoxy)pyridine N-oxide (509076-65-7) → N-[3-(3-chloro-phenoxy)-pyridin-4-yl]-methanesulfonamide

Guidance literature:

Multi-step reaction with 2 steps

1: Fe; aq. acetic acid / Heating

2: K₂CO₃ / acetonitrile

With iron; potassium carbonate; acetic acid; In acetonitrile;

DOI:10.1021/jm049480l

upstream raw materials:

3-Bromo-4-nitropyridine N-oxide

3-monochlorophenol

Downstream raw materials:

4-amino-3-(3-chlorophenoxy)pyridine