6-Bromo-4-methyl-1-phenyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione

Base Information

• Chemical Name: 6-Bromo-4-methyl-1-phenyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione
• CAS No.: 67499-52-9
• Molecular Formula: C23H14BrNO2
• Molecular Weight: 416.2668
• European Community (EC) Number: 625-964-5
• DSSTox Substance ID: DTXSID0070497
• Nikkaji Number: J453.372K
• Wikidata: Q81997822
• Mol file: 67499-52-9.mol

Synonyms:67499-52-9;6-Bromo-4-methyl-1-phenylanthrapyridone;6-Bromo-4-methyl-1-phenyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione;1-Phenyl-6-bromo-4-methyl-3H-dibenz(f,ij)isoquinoline-2,7-dione;3-Naphtho[1,2,3-de]quinoline-2,7-dione, 6-bromo-4-methyl-1-phenyl-;3H-Dibenz[f,ij]isoquinoline-2,7-dione, 6-bromo-4-methyl-1-phenyl-;10-bromo-12-methyl-16-phenyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione;3H-Naphtho(1,2,3-de)quinoline-2,7-dione, 6-bromo-4-methyl-1-phenyl-;3H-Dibenz(f,ij)isoquinoline-2,7-dione, 6-bromo-4-methyl-1-phenyl-;3-Naphtho(1,2,3-de)quinoline-2,7-dione, 6-bromo-4-methyl-1-phenyl-;C23H14BrNO2;DTXSID0070497;SCHEMBL13476383;C23-H14-Br-N-O2;AKOS015889250;6-Bromo-4-methyl-1-phenylanthrapyridone, 98%;6-Bromo-4-methyl-1-phenyl-3H-dibenz[f,ij]isoquinoline-2,7-dione;6-bromo-4-methyl-1-phenyl-2H-naphtho[1,2,3-de]quinoline-2,7(3H)-dione;6-Bromo-4-methyl-1-phenyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione #

Chemical Property of 6-Bromo-4-methyl-1-phenyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione

Chemical Property:

• Vapor Pressure: 4.21E-16mmHg at 25°C
• Boiling Point: 636.5°Cat760mmHg
• Flash Point: 338.7°C
• PSA: 50.19000
• Density: 1.6g/cm³
• LogP: 5.88970
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 415.02079
• Heavy Atom Count: 27
• Complexity: 680

Purity/Quality:

97% ^*data from raw suppliers

6-BROMO-4-METHYL-1-PHENYLANTHRAPYRIDONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C2C3=C1NC(=O)C(=C3C4=CC=CC=C4C2=O)C5=CC=CC=C5)Br

Technology Process of 6-Bromo-4-methyl-1-phenyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione

There total 2 articles about 6-Bromo-4-methyl-1-phenyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione 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:

C23H16BrNO3 (67499-51-8) → 6-bromo-4-methyl-1-phenyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione (67499-52-9)

Guidance literature:

With 2-methoxy-ethanol; potassium hydroxide; In water; at 120 ℃; for 3h; Inert atmosphere;

DOI:10.1039/c7ra04024e

Reference yield:

disperse orange 11 (82-28-0) → 6-bromo-4-methyl-1-phenyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione (67499-52-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: acetic acid

1.2: 15 - 50 °C

2.1: toluene / 6 h / Inert atmosphere; Reflux

3.1: 2-methoxy-ethanol; potassium hydroxide / water / 3 h / 120 °C / Inert atmosphere

With 2-methoxy-ethanol; acetic acid; potassium hydroxide; In water; toluene;

DOI:10.1039/c7ra04024e

Reference yield: 87.0%

diethylaminopropylamine (104-78-9) + 6-bromo-4-methyl-1-phenyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione (67499-52-9) → 6-{[3-(diethylamino)propyl]amino}-4-methyl-1-phenyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione

Guidance literature:

Heating;

upstream raw materials:

C₂₃H₁₆BrNO₃

disperse orange 11

Refernces