5,6,7,8-Tetrahydro-1-quinoliniumolate

Base Information

• Chemical Name: 5,6,7,8-Tetrahydro-1-quinoliniumolate
• CAS No.: 14631-48-2
• Molecular Formula: C9H11 N O
• Molecular Weight: 149.192
• DSSTox Substance ID: DTXSID10380789
• Nikkaji Number: J638.144H
• Wikidata: Q82171239
• Mol file: 14631-48-2.mol

Synonyms:14631-48-2;5,6,7,8-tetrahydro-1-quinoliniumolate;5,6,7,8-Tetrahydroquinoline 1-oxide;1-oxido-5,6,7,8-tetrahydroquinolin-1-ium;5,6,7,8-tetrahydroquinolin-1-ium-1-olate;2,3-Cyclohexenopyridine-N-oxide;SCHEMBL2881930;DTXSID10380789;FGGBJUOJAKQFRD-UHFFFAOYSA-N;MFCD01312585;5,6,7,8-Tetrahydroquinoline N-oxide;5,6,7,8-tetrahydroquinoline-N-oxide;AS-38257;FT-0762930;EN300-100464;1-Oxo-5,6,7,8-tetrahydro-1lambda~5~-quinoline;A884533

Chemical Property of 5,6,7,8-Tetrahydro-1-quinoliniumolate

Chemical Property:

• Vapor Pressure: 5.42E-05mmHg at 25°C
• Melting Point: 69 °C
• Refractive Index: 1.597
• Boiling Point: 358°C at 760 mmHg
• PKA: 1.35±0.20(Predicted)
• Flash Point: 170.3°C
• PSA: 25.46000
• Density: 1.16g/cm³
• LogP: 1.99390
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

5,6,7,8-Tetrahydro-1-quinoliniumolate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C=CC=[N+]2[O-]

Technology Process of 5,6,7,8-Tetrahydro-1-quinoliniumolate

There total 2 articles about 5,6,7,8-Tetrahydro-1-quinoliniumolate 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: 100.0%

5,6,7,8-tetrahydroquinoline (10500-57-9) → 5,6,7,8-tetrahydroquinoline N-oxide (14631-48-2)

Guidance literature:

With dihydrogen peroxide; In acetic acid; at 70 - 80 ℃; for 1h;

DOI:10.1021/jm991180u

Reference yield:

→ 5,6,7,8-tetrahydroquinoline N-oxide (14631-48-2)

Guidance literature:

DOI:10.1021/jm00220a026

Reference yield: 88.0%

5,6,7,8-tetrahydroquinoline N-oxide (14631-48-2) + acetic anhydride (108-24-7) → 5,6,7,8-tetrahydroquinolin-8-yl acetate (14631-47-1)

Guidance literature:

at 120 ℃; for 1h;

DOI:10.1002/cmdc.202000300

upstream raw materials:

5,6,7,8-tetrahydroquinoline

Downstream raw materials:

(3aS,3bR,9aR,10aR)-5-(2,5-Dioxo-1-phenyl-pyrrolidin-3-yl)-2-phenyl-3a,3b,5,6,7,8,9a,10a-octahydro-10-oxa-2,4-diaza-pentaleno[1,2-b]naphthalene-1,3-dione

4-Nitro-5,6,7,8-tetrahydroquinoline N-oxide

5,6,7,8,-tetrahydroquinoline-2-carbonitrile

8-chloro-5,6,7,8-tetrahydroquinoline