3,4'-Ace-1,2-benzanthracene

Base Information

• Chemical Name: 3,4'-Ace-1,2-benzanthracene
• CAS No.: 5779-79-3
• Molecular Formula: C20H14
• Molecular Weight: 254.34
• UNII: DEW3G130KU
• DSSTox Substance ID: DTXSID40206483
• Nikkaji Number: J35.252G
• Wikidata: Q27276354
• Mol file: 5779-79-3.mol

Synonyms:Acenaphthanthracene;3,4'-Ace-1,2-benzanthracene;Benz(k)acephenanthrene;3:4-Dimethylene-1:2-benzanthracene;5779-79-3;BRN 3274312;Benz(k)acephenanthrylene, 4,5-dihydro-;UNII-DEW3G130KU;DEW3G130KU;4,5-DIHYDROBENZ(K)ACEPHENANTHRYLENE;4,5-Dihydrobenz[k]acephenanthrylene;Benz[k]acephenanthrylene, 4,5-dihydro-;Acenaphthanthracen;DTXSID40206483;LS-24807;3,4-DIMETHYLENE-1,2-BENZANTHRACENE;CYCLOPENTA(DE)BENZ(A)ANTHRACENE, 4,5-DIHYDRO-;Q27276354

Chemical Property of 3,4'-Ace-1,2-benzanthracene

Chemical Property:

• Melting Point: 192-193 °C(Solv: ligroine (8032-32-4))
• Refractive Index: 1.7040 (estimate)
• Boiling Point: 495°Cat760mmHg
• Flash Point: 245.3°C
• PSA: 0.00000
• Density: 1.252g/cm³
• LogP: 5.24480
• Water Solubility.: 2.7ug/L(27 oC)
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 254.109550447
• Heavy Atom Count: 20
• Complexity: 372

Purity/Quality:

99% ^*data from raw suppliers

4,5-DIHYDRO-BENZ(K)ACEPHENANTHRYLENE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fum

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC3=CC4=CC=CC=C4C=C3C5=CC=CC1=C25

Technology Process of 3,4'-Ace-1,2-benzanthracene

There total 4 articles about 3,4'-Ace-1,2-benzanthracene 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: 97.0%

4,5-Dihydrobenzacephenanthrylenequinone (85319-85-3) → 4,5-dihydro-benz[k]acephenanthrylene (5779-79-3)

Guidance literature:

With hydrogen iodide; acetic acid; for 6h; Heating;

DOI:10.1021/jo00158a012

Reference yield:

acenaphthen-5-yl-o-tolyl ketone → 4,5-dihydro-benz[k]acephenanthrylene (5779-79-3)

Guidance literature:

at 400 - 410 ℃; Erhitzen unter CO₂;

DOI:10.1021/ja01313a009

Reference yield:

(+/-)-hydroxy-o-tolyl-(acenaphthenyl-(5))-methane → 4,5-dihydro-benz[k]acephenanthrylene (5779-79-3)

Guidance literature:

With air; pyrographite; at 320 - 340 ℃;

upstream raw materials:

4,5-dihydro-7(12H)-benzacephenanthrylenone

4,5-Dihydrobenzacephenanthrylenequinone