2-Amino-3-nitro-4-phenylpyridine

Base Information

• Chemical Name: 2-Amino-3-nitro-4-phenylpyridine
• CAS No.: 198017-57-1
• Molecular Formula: C11H9N3O2
• Molecular Weight: 215.20806
• DSSTox Substance ID: DTXSID90442758
• Wikidata: Q82260228
• Mol file: 198017-57-1.mol

Synonyms:2-Amino-3-nitro-4-phenylpyridine;3-Nitro-4-phenylpyridin-2-amine;198017-57-1;SCHEMBL1840937;DTXSID90442758;LRWZHTAZIWRKOZ-UHFFFAOYSA-N;FT-0727585;A1-19573

Chemical Property of 2-Amino-3-nitro-4-phenylpyridine

Chemical Property:

• Boiling Point: 392.3±42.0 °C(Predicted)
• PKA: 2.22±0.47(Predicted)
• PSA: 85.46000
• Density: 1.327±0.06 g/cm3(Predicted)
• LogP: 2.69230
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 215.069476538
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

97% ^*data from raw suppliers

3-Nitro-4-phenylpyridin-2-amine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Amino-3-nitro-4-phenylpyridine

There total 2 articles about 2-Amino-3-nitro-4-phenylpyridine 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: 43.0%

1,1-diamino-2-nitroethene (71090-35-2) + 3-Chlor-3-phenyl-prop-2-en-1-yliden-dimethyliminium-perchlorat → 3-nitro-4-phenylpyridin-2-amine (198017-57-1)

Guidance literature:

In chlorobenzene; for 8h; Heating;

DOI:10.1002/jhet.5570340409

Reference yield:

4-chloro-3-nitro-2-pyridinamine (6980-08-1) + phenylboronic acid (98-80-6) → 3-nitro-4-phenylpyridin-2-amine (198017-57-1)

Guidance literature:

With [1,1'-bis(diphenylphosphino)ferrocene]dichloropalladium(II); potassium carbonate; In 1,4-dioxane; water; at 120 ℃; for 5h;

Reference yield: 51.0%

3-nitro-4-phenylpyridin-2-amine (198017-57-1) → 2-chloro-3-nitro-4-phenylpyridine

Guidance literature:

With hydrogenchloride; sodium nitrite; for 5h; Ambient temperature;

DOI:10.1002/jhet.5570340409

upstream raw materials:

1,1-diamino-2-nitroethene

4-chloro-3-nitro-2-pyridinamine

phenylboronic acid