Dibenzo[b,k]chrysene

Base Information

• Chemical Name: Dibenzo[b,k]chrysene
• CAS No.: 195-00-6
• Molecular Formula: C26H16
• Molecular Weight: 328.4052
• UNII: 9825OSH3TH
• DSSTox Substance ID: DTXSID70941259
• Nikkaji Number: J488.769G
• Wikidata: Q27272070
• Mol file: 195-00-6.mol

Synonyms:Dibenzo[b,k]chrysene;217-54-9;DIBENZO(B,K)CHRYSENE;Anth(2,1-a)anthrene;naphtho[2,3-c]tetraphene;Anthraceno(2,1-a)anthracene;9825OSH3TH;195-00-6;Anthraceno(2',1':1,2)anthracene;hexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene;HSDB 2159;UNII-9825OSH3TH;2',1'-Anthra-1,2-anthracene;DTXSID70941259;DHCSBRKYHMINPB-UHFFFAOYSA-N;2',1'-ANTHRA-1,2-ANTHRACENE [HSDB];Q27272070

Chemical Property of Dibenzo[b,k]chrysene

Chemical Property:

• Vapor Pressure: 6.64E-14mmHg at 25°C
• Boiling Point: 604.1°Cat760mmHg
• Flash Point: 314.6°C
• PSA: 0.00000
• Density: 1.263g/cm³
• LogP: 7.45260
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 328.125200510
• Heavy Atom Count: 26
• Complexity: 462

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3C=CC5=CC6=CC=CC=C6C=C54

Technology Process of Dibenzo[b,k]chrysene

There total 3 articles about Dibenzo[b,k]chrysene 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: 71.0%

1-(3-ethynylnaphthalen-2-yl)anthracene → anthraceno<2'.1',1.2>anthracene (195-00-6)

Guidance literature:

With tris(pentafluorophenyl)phosphine; platinum(II) chloride; In toluene; at 80 ℃; for 24h; Inert atmosphere;

DOI:10.1002/chem.202004720

Reference yield:

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[(triisopropylsilyl)ethynyl]naphthalene → anthraceno<2'.1',1.2>anthracene (195-00-6)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane / 1,4-dioxane; toluene; water / 21 h / Reflux; Inert atmosphere

2: tetrabutyl ammonium fluoride / tetrahydrofuran / 0.5 h / 20 °C

3: platinum(II) chloride; tris(pentafluorophenyl)phosphine / toluene / 24 h / 80 °C / Inert atmosphere

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; tetrabutyl ammonium fluoride; potassium carbonate; tris(pentafluorophenyl)phosphine; platinum(II) chloride; In tetrahydrofuran; 1,4-dioxane; water; toluene;

DOI:10.1002/chem.202004720

Reference yield:

1-{3-[(triisopropylsilyl)ethynyl]naphthalen-2-yl}anthracene → anthraceno<2'.1',1.2>anthracene (195-00-6)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrabutyl ammonium fluoride / tetrahydrofuran / 0.5 h / 20 °C

2: platinum(II) chloride; tris(pentafluorophenyl)phosphine / toluene / 24 h / 80 °C / Inert atmosphere

With tetrabutyl ammonium fluoride; tris(pentafluorophenyl)phosphine; platinum(II) chloride; In tetrahydrofuran; toluene;

DOI:10.1002/chem.202004720

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