Acephenanthrylene

Base Information

• Chemical Name: Acephenanthrylene
• CAS No.: 201-06-9
• Molecular Formula: C16H10
• Molecular Weight: 202.255
• Hs Code.: 2902909090
• UNII: FBV4SGU2RK
• DSSTox Substance ID: DTXSID8075045
• Nikkaji Number: J488.294F
• Wikidata: Q27115547
• Metabolomics Workbench ID: 54811
• Mol file: 201-06-9.mol

Synonyms:acephenanthrylene

Chemical Property of Acephenanthrylene

Chemical Property:

• Vapor Pressure: 2.01E-06mmHg at 25°C
• Melting Point: 140-141 °C
• Refractive Index: 1.795
• Boiling Point: 405.7 °C at 760 mmHg
• Flash Point: 188.6 °C
• PSA: 0.00000
• Density: 1.246 g/cm³
• LogP: 4.47680
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 202.078250319
• Heavy Atom Count: 16
• Complexity: 303

Purity/Quality:

99% ^*data from raw suppliers

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)C=C3C=CC4=C3C2=CC=C4

Technology Process of Acephenanthrylene

There total 15 articles about Acephenanthrylene 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%

3,9-Diethynyl-phenanthrene (198780-91-5) → fluoranthene (206-44-0) + cyclopenta[c,d]pyrene (27208-37-3) + acephenanthrylene (201-06-9) + 8-ethynylfluoranthene + 9-ethynylacephenanthrylene

Guidance literature:

at 1000 ℃; under 0.01 Torr; Mechanism; var. of temp.; other polyclic aromatic hydrocarbon with ethynyl subst.;

DOI:10.1016/S0040-4039(97)01685-7

Reference yield: 60.0%

4-phenylnaphtho[2,3-c]furan-1,3-dione (1985-37-1) → 1-phenylnaphthalene (605-02-7) + fluoranthene (206-44-0) + acephenanthrylene (201-06-9) + aceanthrylene (202-03-9)

Guidance literature:

Yields of byproduct given; 1.) 960 deg C, 0.02 mm, 2.) 180-200 deg C, 1.25 h;

Reference yield: 16.0%

3,9-Diethynyl-phenanthrene (198780-91-5) → fluoranthene (206-44-0) + cyclopenta[c,d]pyrene (27208-37-3) + acephenanthrylene (201-06-9) + 8-ethynylfluoranthene

Guidance literature:

at 1025 ℃; under 0.01 Torr; Further byproducts given;

DOI:10.1016/S0040-4039(97)01685-7

upstream raw materials:

ethene

1,4-diphenyl-1,3-butadiyne

4-phenylnaphtho[2,3-c]furan-1,3-dione

aceanthrylene

Downstream raw materials:

6-hydroxybenzofluoranthene

5-hydroxybenzofluoranthene

4-hydroxybenzofluoranthene

7-hydroxybenzofluoranthene

Refernces

• 1、 Sarobe, Martin,Jenneskens, Leonardus W.,Kleij, Arjan,Petroutsa, Maria. "Migration of redundant ethynyl substituents along polycyclic aromatic hydrocarbon peripheries. Consequences for polycyclic aromatic hydrocarbon build up". . p. 7255 - 7258. Retrieved 1997.
• 2、 Scott, Lawrence T.,Roelofs, Nicolas H.. "Benzene Ring Contractions at High Temperatures. Evidence from the Thermal Interconversions of Aceanthrylene, Acephenanthrylene, and Fluoranthene". . p. 5461 - 5465. Retrieved 1987.
• 3、 Sarobe, Martin,Jenneskens, Leonardus W.,Steggink, Ralph G. B.,Visser, Tom. "Origin of Pyrene under High Temperature Conditions in the Gas Phase. The Pivotal Role of Phenanthrene". . p. 3861 - 3866. Retrieved 2007/10/03.