6-Amino-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione

Base Information

• Chemical Name: 6-Amino-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione
• CAS No.: 14642-72-9
• Molecular Formula: C₁₇H₁₂N₂O₂
• Molecular Weight: 276.294
• NSC Number: 39895
• DSSTox Substance ID: DTXSID50284934
• Wikidata: Q82020122
• Pharos Ligand ID: QYRGKTXD2ZPB
• ChEMBL ID: CHEMBL603095
• Mol file: 14642-72-9.mol

Synonyms:6-Amino-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione;CHEMBL603095;14642-72-9;6-AMINO-3-METHYL-3H-NAPHTHO(1,2,3-DE)QUINOLINE-2,7-DIONE;NSC39895;CBMicro_020141;Oprea1_366951;Oprea1_683954;SCHEMBL2481237;DTXSID50284934;CCG-8037;BDBM50306770;NSC-39895;AKOS000592979;BIM-0020035.P001;AB00084015-01;6-amino-3-methyl-2H-naphtho[1,2,3-de]quinoline-2,7(3H)-dione

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

Chemical Property:

• Vapor Pressure: 3.88E-12mmHg at 25°C
• Melting Point: 304-306 °C
• Boiling Point: 549.8±50.0 °C(Predicted)
• PKA: 0.99±0.20(Predicted)
• Density: 1.45±0.1 g/cm3(Predicted)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 276.089877630
• Heavy Atom Count: 21
• Complexity: 527

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C3C(=CC1=O)C4=CC=CC=C4C(=O)C3=C(C=C2)N

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

There total 5 articles about 6-Amino-3-methyl-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: 78.0%

1-acetylamino-4-N-acetylmethylaminoanthraquinone (77817-45-9) → 6-amino-N-methylanthrapyridone (14642-72-9)

Guidance literature:

With sodium hydroxide; In ethanol; Heating;

Reference yield:

6-bromo-N-methylanthrapyridone (81-85-6) → 6-amino-N-methylanthrapyridone (14642-72-9)

Guidance literature:

With ammonia; at 150 ℃; unter Druck;

Reference yield:

1-amino-4-(methylamino)anthraquinone (1220-94-6) → 6-amino-N-methylanthrapyridone (14642-72-9)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄ / Ambient temperature

2: 78 percent / NaOH / ethanol / Heating

With sodium hydroxide; sulfuric acid; In ethanol;

upstream raw materials:

6-bromo-N-methylanthrapyridone

1-amino-4-N-acetylmethylaminoanthraquinone

1-acetylamino-4-N-acetylmethylaminoanthraquinone

1-amino-4-(methylamino)anthraquinone

Downstream raw materials:

4-fluoro-N-(3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinolin-6-yl)benzenesulfonamide

N-(3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinolin-6-yl)benzenesulfonamide

4-methyl-N-(3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinolin-6-yl)-3-nitrobenzenesulfonamide

4-fluoro-N-(3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinolin-6-yl)benzenesulfonamide