Benzo(l)cyclopenta(cd)pyrene

Base Information

• Chemical Name: Benzo(l)cyclopenta(cd)pyrene
• CAS No.: 113779-16-1
• Molecular Formula: C₂₂H₁₂
• Molecular Weight: 276.337
• UNII: 82071504XO
• DSSTox Substance ID: DTXSID80921188
• Wikidata: Q27893759
• Mol file: 113779-16-1.mol

Synonyms:CP-B(e)P;cyclopentabenzo(e)pyrene;naphtho(1,2,3,4-mno)acephenanthrylene;naphtho(1,2,3-mno)acephenanthrylene

Chemical Property of Benzo(l)cyclopenta(cd)pyrene

Chemical Property:

• Vapor Pressure: 1.11E-10mmHg at 25°C
• Refractive Index: 1.9800 (estimate)
• Boiling Point: 527.3°C at 760 mmHg
• Flash Point: 265.3°C
• PSA: 0.00000
• Density: 1.376g/cm³
• LogP: 6.22100
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 276.093900383
• Heavy Atom Count: 22
• Complexity: 490

Purity/Quality:

99% ^*data from raw suppliers

NAPHTHO(1,2,3-MNO)ACEPHENANTHRYLENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C4C5=C(C=CC5=CC6=C4C2=CC=C6)C=C3

Technology Process of Benzo(l)cyclopenta(cd)pyrene

There total 3 articles about Benzo(l)cyclopenta(cd)pyrene 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: 85.0%

3-hydroxy-3,4-dihydronaphtho<1,2,3-mno>acephenanthrylene (113779-22-9) → naphtho<1,2,3-mno>acephenanthrylene (113779-16-1)

Guidance literature:

With aluminum oxide; In benzene;

DOI:10.1021/jo00246a043

Reference yield:

4-benzopyrenylacetic acid (113779-20-7) → naphtho<1,2,3-mno>acephenanthrylene (113779-16-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 80 percent / hydrofluoric acid / 15 h / Ambient temperature

2: 97 percent / NaBH₄ / methanol; tetrahydrofuran / 1 h / Ambient temperature

3: 85 percent / Al₂O₃ / benzene

With aluminum oxide; sodium tetrahydroborate; hydrogen fluoride; In tetrahydrofuran; methanol; benzene;

DOI:10.1021/jo00246a043

Reference yield:

methyl 4-benzopyrenylacetate (113779-19-4) → naphtho<1,2,3-mno>acephenanthrylene (113779-16-1)

Guidance literature:

Multi-step reaction with 4 steps

1: 95 percent / 20percent aq. KOH / methanol

2: 80 percent / hydrofluoric acid / 15 h / Ambient temperature

3: 97 percent / NaBH₄ / methanol; tetrahydrofuran / 1 h / Ambient temperature

4: 85 percent / Al₂O₃ / benzene

With aluminum oxide; potassium hydroxide; sodium tetrahydroborate; hydrogen fluoride; In tetrahydrofuran; methanol; benzene;

DOI:10.1021/jo00246a043

upstream raw materials:

3-hydroxy-3,4-dihydronaphtho<1,2,3-mno>acephenanthrylene

4-benzopyrenylacetic acid

methyl 4-benzopyrenylacetate

Refernces