7-Chloro-2,3-dihydro-1,8-naphthyridin-4(1H)-one

Base Information

• Chemical Name: 7-Chloro-2,3-dihydro-1,8-naphthyridin-4(1H)-one
• CAS No.: 76629-10-2
• Molecular Formula: C8H7ClN2O
• Molecular Weight: 182.609
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40504557
• Wikidata: Q82359128
• Mol file: 76629-10-2.mol

Synonyms:7-Chloro-2,3-dihydro-1,8-naphthyridin-4(1H)-one;76629-10-2;7-chloro-2,3-dihydro-1H-1,8-naphthyridin-4-one;7-Chloro-1,2,3,4-tetrahydro-1,8-naphthyridin-4-one;SCHEMBL19892895;DTXSID40504557;BDA62910;MFCD09834137;AKOS006327490;DS-2290;AM804338;CS-0187259;FT-0689595

Chemical Property of 7-Chloro-2,3-dihydro-1,8-naphthyridin-4(1H)-one

Chemical Property:

• Melting Point: 177-179 °C(Solv: ethanol (64-17-5))
• Boiling Point: 427.8±45.0 °C(Predicted)
• PKA: 5.85±0.40(Predicted)
• PSA: 41.99000
• Density: 1.51±0.1 g/cm3(Predicted)
• LogP: 1.87130
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 182.0246905
• Heavy Atom Count: 12
• Complexity: 198

Purity/Quality:

97% ^*data from raw suppliers

7-Chloro-2,3-dihydro-1,8-naphthyridin-4(1H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC2=C(C1=O)C=CC(=N2)Cl

Technology Process of 7-Chloro-2,3-dihydro-1,8-naphthyridin-4(1H)-one

There total 3 articles about 7-Chloro-2,3-dihydro-1,8-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: 73.1%

7-bromo-2,3-dihydro-1,8-naphthyridin-4-(1H)one (64942-87-6) → 7-chloro-2,3-dihydro-1,8-naphthyridin-4-(1H)one (76629-10-2)

Guidance literature:

With hydrogenchloride; In benzene; for 24h; Ambient temperature;

DOI:10.1002/jhet.5570170616

Reference yield: 34.6%

3-(6-chloro-2-pyridylimino)propionic acid (76629-11-3) → 7-chloro-2,3-dihydro-1,8-naphthyridin-4-(1H)one (76629-10-2)

Guidance literature:

With PPA; at 120 ℃; for 0.5h;

DOI:10.1002/jhet.5570170616

Reference yield:

6-chloropyridin-2-amine (45644-21-1) → 7-chloro-2,3-dihydro-1,8-naphthyridin-4-(1H)one (76629-10-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 44.2 percent / acetic acid / 72 h / 120 °C

2: 34.6 percent / polyphosphoric acid / 0.5 h / 120 °C

With PPA; In acetic acid;

DOI:10.1002/jhet.5570170616

upstream raw materials:

3-(6-chloro-2-pyridylimino)propionic acid

7-bromo-2,3-dihydro-1,8-naphthyridin-4-(1H)one

6-chloropyridin-2-amine

Downstream raw materials:

3-chloro-7-phenyl-5,6-dihydroquino<3,2-c><1,8>naphthyridine

3-Chloro-7-phenyl-4,5,12-triaza-benzo[a]anthracene