3-Nitro-4-[(pyridin-2-yl)methyl]aniline

Base Information

• Chemical Name: 3-Nitro-4-[(pyridin-2-yl)methyl]aniline
• CAS No.: 13347-70-1
• Molecular Formula: C12H11N3O2
• Molecular Weight: 229.238
• DSSTox Substance ID: DTXSID10561652
• Nikkaji Number: J1.077.916B
• Wikidata: Q82445494
• Mol file: 13347-70-1.mol

Synonyms:13347-70-1;3-Nitro-4-[(pyridin-2-yl)methyl]aniline;SCHEMBL9636136;DTXSID10561652;2-(2-nitro-4-aminobenzyl)pyridine

Chemical Property of 3-Nitro-4-[(pyridin-2-yl)methyl]aniline

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 229.085126602
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)CC2=C(C=C(C=C2)N)[N+](=O)[O-]

Technology Process of 3-Nitro-4-[(pyridin-2-yl)methyl]aniline

There total 1 articles about 3-Nitro-4-[(pyridin-2-yl)methyl]aniline 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:

2-(2,4-dinitrobenzyl)pyridine (1151-97-9) + hydrogen sulfide (7783-06-4) + ammonia (7664-41-7) → 2-(4'-Amino-2'-nitrobenzyl)pyridin (13347-70-1)

Guidance literature:

DOI:10.1039/jr9520000589

Reference yield:

pentanoic anhydride (2082-59-9) + 2-(4'-Amino-2'-nitrobenzyl)pyridin (13347-70-1) → α-(p-Valerylamino-o-nitrobenzyl)pyridine (123947-03-5)

Guidance literature:

With sodium hydroxide; In water; valeric acid;

Reference yield:

2-(4'-Amino-2'-nitrobenzyl)pyridin (13347-70-1) → (2-nitrophenyl)(pyridin-2-yl)methanone (50678-83-6)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous hydrochloric acid; sodium nitrite; hypophosphoric acid / und Kupfer(II)-sulfat

2: potassium permanganate; water

With hydrogenchloride; potassium permanganate; water; hypophosphoric acid; sodium nitrite;

DOI:10.1039/jr9520000589 DOI:10.1039/jr9310001936

upstream raw materials:

2-(2,4-dinitrobenzyl)pyridine

hydrogen sulfide

ammonia

Downstream raw materials:

2-(2-aminobenzyl)pyridine

(2-nitrophenyl)(pyridin-2-yl)methanone

α-(p-Valerylamino-o-nitrobenzyl)pyridine