6-Benzyl-7H-benzo[de]anthracen-7-one

Base Information

• Chemical Name: 6-Benzyl-7H-benzo[de]anthracen-7-one
• CAS No.: 5082-84-8
• Molecular Formula: C₂₄H₁₆O
• Molecular Weight: 320.39
• NSC Number: 230388,633241
• DSSTox Substance ID: DTXSID00327128
• Wikidata: Q82088527
• ChEMBL ID: CHEMBL1974928
• Mol file: 5082-84-8.mol

Synonyms:6-Benzyl-7H-benzo[de]anthracen-7-one;5082-84-8;NSC633241;NSC 230388;6-benzylbenzo[a]phenalen-7-one;NSC230388;CHEMBL1974928;DTXSID00327128;NSC-230388;NSC-633241;NCI60_011030

Chemical Property of 6-Benzyl-7H-benzo[de]anthracen-7-one

Chemical Property:

• Vapor Pressure: 6.34E-12mmHg at 25°C
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 320.120115130
• Heavy Atom Count: 25
• Complexity: 490

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=C3C4=C(C=CC=C4C5=CC=CC=C5C3=O)C=C2

Technology Process of 6-Benzyl-7H-benzo[de]anthracen-7-one

There total 1 articles about 6-Benzyl-7H-benzo[de]anthracen-7-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:

7H-benz[d,e]anthracene-7-one (82-05-3) + benzylmagnesium chloride (6921-34-2) → 6-benzyl-benz[de]anthracen-7-one (5082-84-8)

Guidance literature:

With diethyl ether; Erhitzen des vom Aether befreiten Reaktionsgemisches in Benzol;

DOI:10.1021/ja01307a046

Reference yield:

6-benzyl-benz[de]anthracen-7-one (5082-84-8) → 4-benzoyl-9,10-dioxo-9,10-dihydro-anthracene-1-carboxylic acid (866997-52-6)

Guidance literature:

With chromium(VI) oxide; acetic acid;

DOI:10.1021/ja01307a046

Reference yield:

6-benzyl-benz[de]anthracen-7-one (5082-84-8) → 1-benzoylanthraquinone (61726-79-2)

Guidance literature:

Multi-step reaction with 2 steps

1: chromium (VI)-oxide; aqueous acetic acid

2: copper-powder; quinoline / 140 - 160 °C

With quinoline; chromium(VI) oxide; copper; acetic acid;

DOI:10.1021/ja01307a046

upstream raw materials:

7H-benz[d,e]anthracene-7-one

benzylmagnesium chloride

Downstream raw materials:

4-benzoyl-9,10-dioxo-9,10-dihydro-anthracene-1-carboxylic acid

1-benzoylanthraquinone