1,2,3,4-Tetrahydro-1,6-naphthyridin-5-OL

Base Information

• Chemical Name: 1,2,3,4-Tetrahydro-1,6-naphthyridin-5-OL
• CAS No.: 155057-98-0
• Molecular Formula: C₈H₁₀N₂O
• Molecular Weight: 150.18
• Hs Code.: 2933990090
• European Community (EC) Number: 842-469-1
• ChEMBL ID: CHEMBL5219768
• DSSTox Substance ID: DTXSID00570334
• Nikkaji Number: J2.386.615C
• Wikidata: Q82457741
• Mol file: 155057-98-0.mol

Synonyms:155057-98-0;1,2,3,4-TETRAHYDRO-1,6-NAPHTHYRIDIN-5-OL;1,2,3,4-Tetrahydro-1,6-naphthyridin-5(6H)-one;2,3,4,6-tetrahydro-1,6-naphthyridin-5(1H)-one;2,3,4,6-TETRAHYDRO-1H-1,6-NAPHTHYRIDIN-5-ONE;1,6-Naphthyridin-5(1H)-one,2,3,4,6-tetrahydro-(9CI);SCHEMBL7103933;CHEMBL5219768;DTXSID00570334;AKOS006332669;AT21862;EN300-94972;A847160

Chemical Property of 1,2,3,4-Tetrahydro-1,6-naphthyridin-5-OL

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: >250 °C (decomp)(Solv: isopropanol (67-63-0))
• Refractive Index: 1.597
• Boiling Point: 397.328°C at 760 mmHg
• PKA: 13.70±0.20(Predicted)
• Flash Point: 195.33°C
• PSA: 45.15000
• Density: 1.225g/cm³
• LogP: 1.28330
• Storage Temp.: 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 150.079312947
• Heavy Atom Count: 11
• Complexity: 253

Purity/Quality:

97% ^*data from raw suppliers

2,3,4,6-TETRAHYDRO-1,6-NAPHTHYRIDIN-5(1H)-ONE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=CNC2=O)NC1

Technology Process of 1,2,3,4-Tetrahydro-1,6-naphthyridin-5-OL

There total 6 articles about 1,2,3,4-Tetrahydro-1,6-naphthyridin-5-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: 69.0%

1,6-naphthyridine-5(6H)-one (23616-31-1) → 1,2,3,4-tetrahydro-1,6-naphthyridine-5(6H)-one (155057-98-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; water; at 25 ℃; for 3h; under 760 Torr;

DOI:10.1002/jhet.5570430525

Reference yield:

methanol (67-56-1) + 1,6-naphthyridine-5(6H)-one (23616-31-1) → 1,2,3,4-tetrahydro-1,6-naphthyridine-5(6H)-one (155057-98-0)

Guidance literature:

palladium; In isopropyl alcohol;

Reference yield:

potassium 2-methylnicotinate → 1,2,3,4-tetrahydro-1,6-naphthyridine-5(6H)-one (155057-98-0)

Guidance literature:

Multi-step reaction with 4 steps

1.1: (COCl)2 / benzene / 19 h / 25 °C

2.1: 58.5 g / NH₃ / CH₂Cl₂ / 1.58 h / 5 - 15 °C

3.1: 2 h / 50 °C

3.2: NaH / dimethylformamide / 2.5 h / 80 °C

3.3: 48 percent / HCl / H₂O / 3 h / 0 - 5 °C / pH 7.2

4.1: 69 percent / H₂ / Pd/C / methanol; H₂O / 3 h / 25 °C / 760 Torr

With oxalyl dichloride; ammonia; hydrogen; palladium on activated charcoal; In methanol; dichloromethane; water; benzene;

DOI:10.1002/jhet.5570430525

upstream raw materials:

1,6-naphthyridine-5(6H)-one

2-methylnicotinamide

methyl 2-methylnicotinate

2-methylnicotinoyl chloride

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