Benzo[b]perylene

Base Information

• Chemical Name: Benzo[b]perylene
• CAS No.: 197-70-6
• Deprecated CAS: 65426-17-7
• Molecular Formula: C24H14
• Molecular Weight: 302.375
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID6075196
• Nikkaji Number: J683.707G
• Wikidata: Q82003215
• Mol file: 197-70-6.mol

Synonyms:Benzo[b]perylene;197-70-6;2,3-Benzoperylene;Benzo(b)perylene;CCRIS 8719;hexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14,16,18(24),19,21-dodecaene;starbld0006780;DTXSID6075196;LS-38804

Chemical Property of Benzo[b]perylene

Chemical Property:

• Vapor Pressure: 1.12E-11mmHg at 25°C
• Boiling Point: 552.3°Cat760mmHg
• Flash Point: 282°C
• PSA: 0.00000
• Density: 1.313g/cm³
• LogP: 6.89040
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly)
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 302.109550447
• Heavy Atom Count: 24
• Complexity: 480

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,3-Benzoperylene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C3=C4C(=CC=C3)C5=CC=CC6=C5C(=CC=C6)C4=CC2=C1
• Uses: 2,3-Benzoperylene is a potent mutagen. It can be used as a standard in determination of polycyclic aromatic hydrocarbons (PAH’s).

Technology Process of Benzo[b]perylene

There total 5 articles about Benzo[b]perylene 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: 33.0%

3-(naphthalen-1-yl)[1,1'-biphenyl]-2,2'-dicarbaldehyde → Benzoperylene (197-70-6)

Guidance literature:

With tin(II) chloride dihdyrate; sulfuric acid; In dichloromethane; isopropyl alcohol; at 20 ℃; for 18h; Darkness;

DOI:10.1002/chem.202103098

Reference yield:

2,6-dibromobenzaldehyde (67713-23-9) → Benzoperylene (197-70-6)

Guidance literature:

Multi-step reaction with 3 steps

1: bis-triphenylphosphine-palladium(II) chloride; sodium carbonate / water; 1,4-dioxane / 2.5 h / Reflux; Inert atmosphere

2: potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / methanol; toluene; water / 16 h / Inert atmosphere; Reflux

3: tin(II) chloride dihdyrate; sulfuric acid / dichloromethane; isopropyl alcohol / 18 h / 20 °C / Darkness

With bis-triphenylphosphine-palladium(II) chloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; tin(II) chloride dihdyrate; sulfuric acid; sodium carbonate; potassium carbonate; In 1,4-dioxane; methanol; dichloromethane; water; isopropyl alcohol; toluene;

DOI:10.1002/chem.202103098

Reference yield:

3-bromo-2,2'-diformyl-1,1'-biphenyl → Benzoperylene (197-70-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / methanol; toluene; water / 16 h / Inert atmosphere; Reflux

2: tin(II) chloride dihdyrate; sulfuric acid / dichloromethane; isopropyl alcohol / 18 h / 20 °C / Darkness

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; tin(II) chloride dihdyrate; sulfuric acid; potassium carbonate; In methanol; dichloromethane; water; isopropyl alcohol; toluene;

DOI:10.1002/chem.202103098

upstream raw materials:

1-[1]naphthyl-phenanthrene-2,3-dicarboxylic acid-anhydride

2,6-dibromobenzaldehyde

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