(+-)-4,4a,5,6-Tetrahydrobenzo(h)cinnolin-3(2H)-one

Base Information

• Chemical Name: (+-)-4,4a,5,6-Tetrahydrobenzo(h)cinnolin-3(2H)-one
• CAS No.: 121866-05-5
• Molecular Formula: C₁₂H₁₂N₂O
• Molecular Weight: 200.24
• DSSTox Substance ID: DTXSID70923999
• Nikkaji Number: J448.908J
• ChEMBL ID: CHEMBL72055
• Mol file: 121866-05-5.mol

Synonyms:BRN 0881705;(+-)-4,4a,5,6-Tetrahydrobenzo(h)cinnolin-3(2H)-one;Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-, (+-)-;5-24-03-00524 (Beilstein Handbook Reference);121866-05-5;25823-48-7;4,4a,5,6-Tetrahydrobenzo[h]cinnolin-3(2H)-one;CHEMBL72055;SCHEMBL10341574;DTXSID70923999;EiM08-41668;STL497164;AKOS027475168;LS-33727;4,4a,5,6-Tetrahydrobenzo[h]cinnolin-3-ol;Z1509574658

Chemical Property of (+-)-4,4a,5,6-Tetrahydrobenzo(h)cinnolin-3(2H)-one

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 200.094963011
• Heavy Atom Count: 15
• Complexity: 311

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2C3=NNC(=O)CC31

Technology Process of (+-)-4,4a,5,6-Tetrahydrobenzo(h)cinnolin-3(2H)-one

There total 2 articles about (+-)-4,4a,5,6-Tetrahydrobenzo(h)cinnolin-3(2H)-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:

1,2,3,4-tetrahydro-1-oxo-2-naphthaleneacetic acid (6742-31-0) → 4,4a,5,6-tetrahydrobenzocinnolin-3(2H)-one (25823-48-7,121866-05-5)

Guidance literature:

With hydrazine; In ethanol; Heating / reflux;

Reference yield:

→ 4,4a,5,6-tetrahydrobenzocinnolin-3(2H)-one (25823-48-7,121866-05-5)

Guidance literature:

Malonsaeure 7,Hydrazinhydrat;

Reference yield: 94.0%

4,4a,5,6-tetrahydrobenzocinnolin-3(2H)-one (25823-48-7,121866-05-5) → 5,6-Dihydrobenzo[h]cinnolin-3(2H)-one (25823-49-8)

Guidance literature:

With sodium hydroxide; sodium 3-nitrobenzenesulfonate; In water; for 1h; Heating;

upstream raw materials:

1,2,3,4-tetrahydro-1-oxo-2-naphthaleneacetic acid

Downstream raw materials:

5,6-Dihydrobenzo[h]cinnolin-3(2H)-one

3-(3-oxo-4,4a,5,6-tetrahydrobenzo[h]cinnolin-2(3H)-yl)propyl 2-(tertbutoxycarbonylamino)-3-phenylpropanoate

C₂₄H₂₇N₃O₃