4-Amino-3,5-dichloropyridine N-oxide

Base Information

• Chemical Name: 4-Amino-3,5-dichloropyridine N-oxide
• CAS No.: 91872-02-5
• Molecular Formula: C5H4 Cl2 N2 O
• Molecular Weight: 179
• UNII: G9KH0SR06F
• DSSTox Substance ID: DTXSID10443348
• Nikkaji Number: J1.627.979J
• Wikidata: Q27278971
• Mol file: 91872-02-5.mol

Synonyms:91872-02-5;4-AMINO-3,5-DICHLOROPYRIDINE N-OXIDE;3,5-dichloro-1-hydroxypyridin-4-imine;3,5-Dichloro-4-pyridinamine 1-oxide;UNII-G9KH0SR06F;3,5-Dichloro-4-aminopyridine N-oxide;4-amino-3,5-dichloropyridine-N-oxide;4-Amino-3,5-dichloropyridine 1-oxide;G9KH0SR06F;4-Pyridinamine, 3,5-dichloro-, 1-oxide;4-Amino-3,5-dichloropyridineN-oxide;SCHEMBL75106;DTXSID10443348;CEECPWRWUMQUKU-UHFFFAOYSA-N;3,5-Dichloro-4-aminopyridin-1-oxide;4-amino-3,5-dichloro pyridine-N-oxide;4-AMINO-3,5-DICHLOROPYRIDIN-1-IUM-1-OLATE;Q27278971

Chemical Property of 4-Amino-3,5-dichloropyridine N-oxide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 49.49000
• Density: g/cm³
• LogP: 1.69410
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 177.9700681
• Heavy Atom Count: 10
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

4-Amino-3,5-dichloropyridineN-Oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=N)C(=CN1O)Cl)Cl
• Uses: 4-Amino-3,5-dichloropyridine N-Oxide is the impurity of the drug Roflumilast (R639700), which is a selective phosphodiesterase 4(PDE4) inhibitor, antiasthmatic.

Technology Process of 4-Amino-3,5-dichloropyridine N-oxide

There total 5 articles about 4-Amino-3,5-dichloropyridine N-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: 30.0%

3,5-dichloro-4-nitropyridine N-oxide (18344-58-6) → 4-amino-3,5-dichloropyridine-N-oxide (91872-02-5)

Guidance literature:

With ammonia; In water; acetonitrile; at 70 ℃; for 3h;

Reference yield:

3,5-dichloro-4-aminopyridine (22889-78-7) → 4-amino-3,5-dichloropyridine-N-oxide (91872-02-5)

Guidance literature:

With peracetic acid; In chloroform; at 20 ℃; for 48h;

Reference yield:

C5H4Cl2N2O*C8H6O4 → 4-amino-3,5-dichloropyridine-N-oxide (91872-02-5)

Guidance literature:

With potassium carbonate; In water; at 20 ℃; for 6h;

upstream raw materials:

3,5-dichloro-4-nitropyridine N-oxide

3,5-dicholoropyridine N-oxide

3,5-dichloropyridine

3,5-dichloro-4-aminopyridine

Downstream raw materials:

1-Cyclohexylmethyl-3-methyl-1H-indole-6-carboxylic acid (3,5-dichloro-1-oxy-pyridin-4-yl)-amide