CID 6439814

Base Information

• Chemical Name: CID 6439814
• CAS No.: 262-89-5
• Molecular Formula: C16H12
• Molecular Weight: 204.271
• Hs Code.: 2902900000
• Mol file: 262-89-5.mol

Synonyms:

Chemical Property of CID 6439814

Chemical Property:

• Vapor Pressure: 0.000137mmHg at 25°C
• Melting Point: 108 - 109 °C
• Boiling Point: 343.8°Cat760mmHg
• Flash Point: 172°C
• PSA: 0.00000
• Density: 1.085g/cm³
• LogP: 4.34080
• Storage Temp.: 0-10°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 204.093900383
• Heavy Atom Count: 16
• Complexity: 449

Purity/Quality:

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

Dibenzo[a,e]cyclooctene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=CC=C3C=CC=CC3=CC=C2C=C1
• Isomeric SMILES: C1=C/C/2=C/C=C/3\C(=C/C=C2/C=C1)\C=CC=C3

Technology Process of CID 6439814

There total 6 articles about CID 6439814 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: 4.0%

Tribenzo-Nenitzescu's hydrocarbon → Cava's dimer (17509-84-1) + anthracene (120-12-7) + dibenzo[a,e]cyclooctatetraene (262-89-5) + benz[a]anthracene (56-55-3)

Guidance literature:

at 600 ℃; under 1 Torr; Further byproducts given;

Reference yield:

1,2-bis(dibromomethyl)benzene (13209-15-9) → o-xylene (95-47-6) + benzocyclobutene (694-87-1) + dibenzo[a,e]cyclooctatetraene (262-89-5) + 7,8-Dibromobicyclo<4.2.0>octa-1,3,5-trien (22250-72-2)

Guidance literature:

With tris(ammonia)chromium tricarbonyl; In 1,4-dioxane; at 101 ℃; for 3.5h; Title compound not separated from byproducts;

Reference yield:

Cava's dimer (17509-84-1) → anthracene (120-12-7) + dibenzo[a,e]cyclooctatetraene (262-89-5) + 9,10-dihydro-9,10-etheno-anthracene (2734-13-6) + benzobiphenylene (252-47-1) + dibenzosemibullvalene (2199-28-2)

Guidance literature:

at 550 ℃; for 6.94444E-05h; under 1 Torr; Product distribution; Mechanism; other temperatures;

upstream raw materials:

Cava's dimer

1,2-bis(dibromomethyl)benzene

Downstream raw materials:

5,6,11,12-tetrahydro-dibenzo[a,e]cyclooctene

cis,trans-dihydrido(dibenzo[a,e]cyclooctatetraene)bis(triphenylphosphine)iridium(III) tetrafluoroborate

[Rh(κ3-N-benzyl-N,N-di[(6-methyl-2-pyridylmethyl)]amine)(η4-dibenzo[a,e]cyclooctatetraene)]PF6

5,6-dihydro-dibenzocyclooctene

Refernces

• 1、 Banciu, Mircea D.,Pop, Mircea,Petride, Aurica,Stanescu, Michaela Dina. "FLOW-VACUUM PYROLYSIS OF DIBENZOTRICYCLO2,5>-DECA-3,7,9-TRIENE (syn-DIBENZONENITZESCU'S HYDROCARBON) AND OF TRIBENZOTRICYCLO2,5>DECA-3,7,9-TRIENE (TRIBENZO-NENITZESCU'S HYDROCARBON)". . p. 907 - 916. Retrieved 2007/10/03.