5,6,7,8-Tetrahydro-1,6-naphthyridin-3-ol

Base Information

• Chemical Name: 5,6,7,8-Tetrahydro-1,6-naphthyridin-3-ol
• CAS No.: 785774-74-5
• Molecular Formula: C₈H₁₀N₂O
• Molecular Weight: 150.18
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70590488
• Wikidata: Q72506334
• Mol file: 785774-74-5.mol

Synonyms:5,6,7,8-Tetrahydro-1,6-naphthyridin-3-ol;785774-74-5;5,6,7,8-Tetrahydro-[1,6]naphthyridin-3-ol;SCHEMBL13226202;5,6,7,8-Tetrahydro-1,6-naphthyridin-3-ol, hydrochloride;DTXSID70590488;MFCD08273905;AKOS006340955;AB44464;FS-3327;DB-075486;CS-0060819;S11487;A839447

Chemical Property of 5,6,7,8-Tetrahydro-1,6-naphthyridin-3-ol

Chemical Property:

• Vapor Pressure: 8.7E-08mmHg at 25°C
• Refractive Index: 1.588
• Boiling Point: 424ºC at 760 mmHg
• PKA: 9.43±0.20(Predicted)
• Flash Point: 210.2ºC
• PSA: 45.15000
• Density: 1.211g/cm3
• LogP: 0.76170
• Storage Temp.: 2-8°C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 150.079312947
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

97% ^*data from raw suppliers

5,6,7,8-tetrahydro-1,6-naphthyridin-3-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC2=C1N=CC(=C2)O

Technology Process of 5,6,7,8-Tetrahydro-1,6-naphthyridin-3-ol

There total 3 articles about 5,6,7,8-Tetrahydro-1,6-naphthyridin-3-ol 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:

tert-butyl 3-amino-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate (355819-02-2) → 5,6,7,8-tetrahydro-1,6-naphthyridin-3-ol (785774-74-5)

Guidance literature:

With hydrogenchloride; sodium nitrite; In water; at 20 - 80 ℃; for 3h; Inert atmosphere;

Reference yield:

C15H16N2O (625098-87-5) → 5,6,7,8-tetrahydro-1,6-naphthyridin-3-ol (785774-74-5)

Guidance literature:

With hydrogenchloride; Pd/C; hydrogen; In ethanol;

DOI:10.1016/j.tetlet.2008.08.083

Reference yield:

tert-butyl 3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate (355818-98-3) → 5,6,7,8-tetrahydro-1,6-naphthyridin-3-ol (785774-74-5)

Guidance literature:

Multi-step reaction with 2 steps

1: rhodium contaminated with carbon; hydrogen / tetrahydrofuran / 20 °C

2: hydrogenchloride; sodium nitrite / water / 3 h / 20 - 80 °C / Inert atmosphere

With hydrogenchloride; rhodium contaminated with carbon; hydrogen; sodium nitrite; In tetrahydrofuran; water;

upstream raw materials:

C₁₅H₁₆N₂O

tert-butyl 3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate

tert-butyl 3-amino-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate

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