Luotonin B

Base Information

• Chemical Name: Luotonin B
• CAS No.: 205989-13-5
• Molecular Formula: C₁₈H₁₁N₃O₂
• Molecular Weight: 301.304
• European Community (EC) Number: 663-127-6
• DSSTox Substance ID: DTXSID801179735
• Nikkaji Number: J929.390F
• Wikidata: Q104251455
• ChEMBL ID: CHEMBL18395
• Mol file: 205989-13-5.mol

Synonyms:luotonin B

Chemical Property of Luotonin B

Chemical Property:

• Melting Point: 271-274 °C
• Boiling Point: 568.9±60.0 °C(Predicted)
• PSA: 68.01000
• Density: 1.54±0.1 g/cm3(Predicted)
• LogP: 2.46430
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 301.085126602
• Heavy Atom Count: 23
• Complexity: 548

Purity/Quality:

Luotonin B ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C3C(N4C(=NC5=CC=CC=C5C4=O)C3=N2)O

Technology Process of Luotonin B

There total 35 articles about Luotonin B 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: 81.0%

2-(2-quinolinyl)-3-hydroquinazolin-4-one (725254-20-6) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → quino[2',3':3,4]pyrrolo[2,1-b]quinazolin-13-hydroxy-11-one (205989-13-5)

Guidance literature:

2-(2-quinolinyl)-3-hydroquinazolin-4-one; With mesityllithium; In tetrahydrofuran; pentane; at -78 - -20 ℃;

N,N-dimethyl-formamide; In tetrahydrofuran; pentane; at -20 ℃; for 0.5h;

DOI:10.1021/jo040153v

Reference yield: 75.0%

C17H11LiN3O(1-)*Li(1+) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → quino[2',3':3,4]pyrrolo[2,1-b]quinazolin-13-hydroxy-11-one (205989-13-5)

Guidance literature:

With ammonium chloride; In tetrahydrofuran; pentane; at -20 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2016.02.030

Reference yield: 70.0%

2-(3-[1,3]dioxolan-2-yl)-1H-quinazolin-4-one (792923-90-1) → quino[2',3':3,4]pyrrolo[2,1-b]quinazolin-13-hydroxy-11-one (205989-13-5)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; for 1h; Heating;

DOI:10.1016/j.tet.2004.08.025

upstream raw materials:

luotonin A

acetonitrile

2-(2-quinolinyl)-3-hydroquinazolin-4-one

N,N-dimethyl-formamide