5,7-Dichloro-1,6-naphthyridin-4(1H)-one

Base Information

• Chemical Name: 5,7-Dichloro-1,6-naphthyridin-4(1H)-one
• CAS No.: 863785-66-4
• Molecular Formula: C₈H₄Cl₂N₂O
• Molecular Weight: 215.039
• Hs Code.: 2933990090
• European Community (EC) Number: 837-886-0
• DSSTox Substance ID: DTXSID40679476
• Wikidata: Q82602863
• Mol file: 863785-66-4.mol

Synonyms:863785-66-4;5,7-Dichloro-1,6-naphthyridin-4(1H)-one;5,7-dichloro-1,6-naphthyridin-4-ol;1443378-52-6;5,7-Dichloro-1H-[1,6]naphthyridin-4-one;5,7-DICHLORO-1H-1,6-NAPHTHYRIDIN-4-ONE;SCHEMBL5598858;SCHEMBL15012293;DTXSID40679476;KFJIDHGCUDTBGV-UHFFFAOYSA-N;MFCD11501364;AKOS022172886;AKOS026728789;DS-7153;CS-0171533;EN300-138115;A848593

Chemical Property of 5,7-Dichloro-1,6-naphthyridin-4(1H)-one

Chemical Property:

• PSA: 45.75000
• LogP: 2.22990
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 213.9700681
• Heavy Atom Count: 13
• Complexity: 257

Purity/Quality:

97% ^*data from raw suppliers

5,7-Dichloro-1H-[1,6]naphthyridin-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CNC2=CC(=NC(=C2C1=O)Cl)Cl

Technology Process of 5,7-Dichloro-1,6-naphthyridin-4(1H)-one

There total 2 articles about 5,7-Dichloro-1,6-naphthyridin-4(1H)-one 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: 94.0%

5-[[(2,6-dichloropyridin-4-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (863785-65-3) → 5,7-dichloro-1H-1,6-naphthyridin-4-one (863785-66-4)

Guidance literature:

In diphenylether; at 220 ℃; for 1h;

Reference yield:

2,6-dichloro-[4]pyridylamine (2587-02-2) → 5,7-dichloro-1H-1,6-naphthyridin-4-one (863785-66-4)

Guidance literature:

Multi-step reaction with 2 steps

1: isopropyl alcohol / 3 h / 110 °C

2: diphenylether / 1 h / 220 °C

In diphenylether; isopropyl alcohol;

Reference yield: 74.0%

5,7-dichloro-1H-1,6-naphthyridin-4-one (863785-66-4) → 7-chloro-1H-1,6-naphthyridin-4-one (952138-12-4)

Guidance literature:

With acetic acid; zinc; In methanol; at 70 ℃;

upstream raw materials:

5-[[(2,6-dichloropyridin-4-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

2,6-dichloro-[4]pyridylamine

Downstream raw materials:

7-chloro-1H-1,6-naphthyridin-4-one

4,7-dichloro-1,6-naphthyridine

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