5,8-Epoxyisoquinoline, 5,8-dihydro-

Base Information

• Chemical Name: 5,8-Epoxyisoquinoline, 5,8-dihydro-
• CAS No.: 40247-40-3
• Molecular Formula: C9H7NO
• Molecular Weight: 145.161
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID80390613
• Nikkaji Number: J1.311.656C
• Mol file: 40247-40-3.mol

Synonyms:5,8-Epoxyisoquinoline, 5,8-dihydro-;40247-40-3;5,8-dihydro-5,8-epoxyisoquinoline;DTXSID80390613;AKOS006276477;11-oxa-4-azatricyclo[6.2.1.0?,?]undeca-2,4,6,9-tetraene;11-oxa-4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene

Chemical Property of 5,8-Epoxyisoquinoline, 5,8-dihydro-

Chemical Property:

• Boiling Point: 105 °C(Press: 4 Torr)
• PKA: 5.75±0.20(Predicted)
• PSA: 22.12000
• Density: 1.289±0.06 g/cm3(Predicted)
• LogP: 1.76380
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 145.052763847
• Heavy Atom Count: 11
• Complexity: 202

Purity/Quality:

5,8-DIHYDRO-5,8-EPOXYISOQUINOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2C3=C(C1O2)C=CN=C3

Technology Process of 5,8-Epoxyisoquinoline, 5,8-dihydro-

There total 23 articles about 5,8-Epoxyisoquinoline, 5,8-dihydro- 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: 55.0%

furan (110-00-9) + 4-(triethylsilyl)pyridin-3-yl trifluoromethanesulfonate (204459-37-0) → 5,8-endoxo-5,8-dihydroisoquinoline (40247-40-3)

Guidance literature:

With cesium fluoride; In acetonitrile; Inert atmosphere;

DOI:10.1021/ol200057j

Reference yield: 45.0%

furan (110-00-9) + 3-chloro-4-iodopyridine (77332-79-7) → 5,8-endoxo-5,8-dihydroisoquinoline (40247-40-3) + 3-chloro-4-n-butylpyridine (77332-86-6)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at -78 ℃;

DOI:10.1016/S0040-4039(00)93671-2

Reference yield: 42.0%

furan (110-00-9) + 3-Bromopyridine (626-55-1,163928-56-1) → 5,8-endoxo-5,8-dihydroisoquinoline (40247-40-3)

Guidance literature:

With 18-crown-6 ether; potassium hydroxide; In N,N-dimethyl acetamide; at 80 ℃; for 18h;

DOI:10.1039/d0sc02689a

upstream raw materials:

furan

4-fluoropyridine

3-chloro-4-iodopyridine

3-bromo-4-pyridyl phenyl sulfoxide

Downstream raw materials:

7-(dibenzylamino)-7,8-dihydro-isoquinolin-8-ol

6-(dibenzylamino)-5,6-dihydroisoquinolin-5-ol