Dibenz[a,j]anthracene

Base Information

• Chemical Name: Dibenz[a,j]anthracene
• CAS No.: 224-41-9
• Molecular Formula: C22H14
• Molecular Weight: 278.353
• Hs Code.: 2902909090
• European Community (EC) Number: 205-928-1,681-933-6
• NSC Number: 90321
• UNII: M477C74UCX
• DSSTox Substance ID: DTXSID8074811
• Nikkaji Number: J53.917A
• Wikipedia: Dibenz(a,j)anthracene
• Wikidata: Q5272255
• ChEMBL ID: CHEMBL24775
• Mol file: 224-41-9.mol

Synonyms:3,4,5,6-dibenzanthracene;dibenz(aj)anthracene;dibenzo(aj)anthracene;dibenzo-1,2,7,8-anthracene

Chemical Property of Dibenz[a,j]anthracene

Chemical Property:

• Vapor Pressure: 1.41E-10mmHg at 25°C
• Melting Point: 197.5°C
• Refractive Index: 1.8120 (estimate)
• Boiling Point: 524.7°Cat760mmHg
• Flash Point: 264.5°C
• PSA: 0.00000
• Density: 1.232g/cm³
• LogP: 6.29940
• Storage Temp.: 2-8°C
• Water Solubility.: 8.629ug/L(25 oC)
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 278.109550447
• Heavy Atom Count: 22
• Complexity: 363

Purity/Quality:

98% ^*data from raw suppliers

Dibenz[a,j]anthracene BCR ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-36/37/38-52/53
• Safety Statements: 26-45-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=CC4=C(C=C32)C5=CC=CC=C5C=C4

Technology Process of Dibenz[a,j]anthracene

There total 40 articles about Dibenz[a,j]anthracene 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: 98.0%

2,4',6',2''-tetravinyl-[1,1';3',1'']terphenyl (868847-77-2) → dibenz[a,j]anthracene (224-41-9)

Guidance literature:

With Grubbs catalyst first generation; In dichloromethane; at 35 ℃; for 23h;

DOI:10.1021/jo051418o

Reference yield: 93.0%

1,2,3,4,10,11,12,13-Octahydrodibenzanthracene (130799-92-7) → dibenz[a,j]anthracene (224-41-9)

Guidance literature:

palladium on activated charcoal; In various solvent(s); Heating;

DOI:10.1021/jo00003a050

Reference yield: 90.0%

14-acetoxydibenzanthracene (81205-71-2) → dibenz[a,j]anthracene (224-41-9)

Guidance literature:

With potassium hydroxide; zinc; In 1,4-dioxane; water; Heating;

DOI:10.1021/jo00132a026

upstream raw materials:

1-Methylnaphthalene

5,6,8,9-Tetrahydrodibenzoanthracene

14H-dibenz[a,j]anthracen-7-one

(E,E)-1,3-distyrylbenzene

Downstream raw materials:

3-(2-Formylphenyl)-2-phenanthrenecarboxaldehyde

Dibenzoanthrachinone

dibenz[a,j]anthracene-5,6-oxide

dibenzanthracene-5,6-dione

Refernces

• 1、 Luo, Jia,Ihmels, Heiko,Deiseroth, Hans-Joerg,Schlosser, Marc. "Controlling the regioselectivity of the di-p-methane rearrangements of 1,2-naphtho-annelated barrelene derivatives-Solution versus solid-state photochemistry". . p. 619 - 626. Retrieved 2009.
• 2、 Bonifacio, Margel C.,Robertson, Charles R.,Jung, Jun-Young,King, Benjamin T.. "Polycyclic aromatic hydrocarbons by ring-closing metathesis". . p. 8522 - 8526. Retrieved 2007/10/03.
• 3、 Harvey, Ronald G.,Pataki, John,Cortez, Cecilia,Raddo, Pasquale Di,Yang, ChengXi. "A New General Synthesis of Polycyclic Aromatic Compounds Based on Enamine Chemistry". . p. 1210 - 1217. Retrieved 2007/10/02.