cyclopenta[cd]pyren-3(4H)-one

Base Information

• Chemical Name: cyclopenta[cd]pyren-3(4H)-one
• CAS No.: 69795-70-6
• Molecular Formula: C18H10 O
• Molecular Weight: 242.277
• DSSTox Substance ID: DTXSID30990046
• Nikkaji Number: J787.524J
• Wikidata: Q82979388
• Mol file: 69795-70-6.mol

Synonyms:cyclopenta[cd]pyren-3(4H)-one;69795-70-6;Cyclopenta(cd)pyren-3(4H)-one;pentacyclo[12.3.1.04,17.07,16.010,15]octadeca-1(18),4(17),5,7(16),8,10(15),11,13-octaen-3-one;SCHEMBL21969015;cyclopenta[cd]pyrene-3[4h]-one;DTXSID30990046;LS-58173

Chemical Property of cyclopenta[cd]pyren-3(4H)-one

Chemical Property:

• Vapor Pressure: 4.82E-09mmHg at 25°C
• Boiling Point: 471 °C at 760 mmHg
• Flash Point: 213 °C
• PSA: 17.07000
• Density: 1.426 g/cm³
• LogP: 4.32280
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 242.073164938
• Heavy Atom Count: 19
• Complexity: 414

Purity/Quality:

99% ^*data from raw suppliers

CYCLOPENTA[CD]PYREN-3(4H)-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC3=CC=CC4=C3C5=C(C=C4)C=CC(=C25)C1=O

Technology Process of cyclopenta[cd]pyren-3(4H)-one

There total 16 articles about cyclopenta[cd]pyren-3(4H)-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: 70.0%

pyren-4-ylacetic acid (22245-55-2) → cyclopentapyrene-3(4H)-one (69795-70-6)

Guidance literature:

With PPA;

DOI:10.1039/c39820000185

Reference yield: 67.0%

4a,5-dihydrocyclopentapyren-3(4H)-one (85056-98-0) → cyclopentapyrene-3(4H)-one (69795-70-6)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In toluene; for 20h; Heating;

Reference yield: 43.0%

cyclopenta[c,d]pyrene (27208-37-3) → cyclopentapyrene-3(4H)-one (69795-70-6) + 4-nitrocyclopentapyrene (102859-52-9)

Guidance literature:

With iodine; silver nitrate; sodium nitrite; In acetonitrile; at 0 ℃; for 2.16667h;

DOI:10.1002/recl.19871061205

upstream raw materials:

cyclopenta[c,d]pyrene

pyren-4-ylacetic acid

1-(bromoacetyl)pyrene

4a,5-dihydrocyclopentapyren-3(4H)-one

Downstream raw materials:

cyclopenta[c,d]pyrene

3-hydroxy-3,4-dihydrocyclopentapyrene

3,4-dihydrocyclopentapyrene-4(3H)-one