3-Nitro-1,6-naphthyridine

Base Information

• Chemical Name: 3-Nitro-1,6-naphthyridine
• CAS No.: 13221-70-0
• Molecular Formula: C₈H₅N₃O₂
• Molecular Weight: 175.147
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50516929
• Nikkaji Number: J151.338I
• Wikidata: Q82378597
• Mol file: 13221-70-0.mol

Synonyms:3-Nitro-1,6-naphthyridine;13221-70-0;SCHEMBL14486805;DTXSID50516929;A926139

Chemical Property of 3-Nitro-1,6-naphthyridine

Chemical Property:

• PSA: 71.60000
• LogP: 2.06120
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 175.038176411
• Heavy Atom Count: 13
• Complexity: 204

Purity/Quality:

97% ^*data from raw suppliers

3-Nitro-1,6-naphthyridine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC2=CC(=CN=C21)[N+](=O)[O-]

Technology Process of 3-Nitro-1,6-naphthyridine

There total 10 articles about 3-Nitro-1,6-naphthyridine 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: 24.0%

5,6,7,8-tetrahydro-3-nitro-1,6-naphthyridine (123792-68-7) → 3-Nitro-1,6-naphthyridin (13221-70-0)

Guidance literature:

With iodine; potassium acetate; In ethanol; for 2h; Heating;

DOI:10.1016/S0040-4020(01)80099-5

Reference yield:

1-Acetyl-4-(1-pyrrolidinyl)-1,2,3,6-tetrahydro-pyridine (104916-29-2) → 3-Nitro-1,6-naphthyridin (13221-70-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 48 percent / ethanol / 3 h / Heating

2: 89 percent / 6N hydrochloric acid / 1.5 h / Heating

3: 24 percent / iodine, potassium acetate / ethanol / 2 h / Heating

With hydrogenchloride; iodine; potassium acetate; In ethanol;

DOI:10.1016/S0040-4020(01)80099-5

Reference yield:

6-acetyl-5,6,7,8-tetrahydro-3-nitro-1,6-naphthyridine (123792-65-4) → 3-Nitro-1,6-naphthyridin (13221-70-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / 6N hydrochloric acid / 1.5 h / Heating

2: 24 percent / iodine, potassium acetate / ethanol / 2 h / Heating

With hydrogenchloride; iodine; potassium acetate; In ethanol;

DOI:10.1016/S0040-4020(01)80099-5

upstream raw materials:

5,6,7,8-tetrahydro-3-nitro-1,6-naphthyridine

1,6-naphthyridine

2-chloro-3-nitro-1,6-naphthyridine

3-nitro-1,6-naphthyridin-2<1H>-one

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