14H-dibenzo[a,j]xanthen-14-one

Base Information

• Chemical Name: 14H-dibenzo[a,j]xanthen-14-one
• CAS No.: 36159-69-0
• Molecular Formula: C21H12O2
• Molecular Weight: 296.325
• Hs Code.: 2932999099
• NSC Number: 126398
• DSSTox Substance ID: DTXSID70298831
• Nikkaji Number: J89.091J
• Wikidata: Q82040904
• Mol file: 36159-69-0.mol

Synonyms:14H-dibenzo[a,j]xanthen-14-one;36159-69-0;NSC126398;SCHEMBL7912365;DTXSID70298831;NSC-126398

Chemical Property of 14H-dibenzo[a,j]xanthen-14-one

Chemical Property:

• Vapor Pressure: 1.4E-11mmHg at 25°C
• Boiling Point: 536.4°C at 760 mmHg
• Flash Point: 256.1°C
• PSA: 30.21000
• Density: 1.335g/cm³
• LogP: 5.25260
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 296.083729621
• Heavy Atom Count: 23
• Complexity: 433

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C(=O)C4=C(O3)C=CC5=CC=CC=C54

Technology Process of 14H-dibenzo[a,j]xanthen-14-one

There total 10 articles about 14H-dibenzo[a,j]xanthen-14-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: 96.0%

dibenzo[a,j]-xanthene (224-48-6) → 14H-dibenzo[a,j]xanthene-14-one (36159-69-0)

Guidance literature:

With tert.-butylnitrite; oxygen; acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,2-dichloro-ethane; at 20 ℃; for 24h; Solvent; Irradiation; Schlenk technique; Sealed tube;

DOI:10.1055/s-0037-1610678

Reference yield:

di(naphthalen-2-yl) carbonate (89784-86-1) → 14H-dibenzo[a,j]xanthene-14-one (36159-69-0)

Guidance literature:

With alkali carbonate; at 180 - 200 ℃;

Reference yield:

14-propyl-14H-dibenzo[a,j]xanthene (37097-14-6) → 14H-dibenzo[a,j]xanthene-14-one (36159-69-0)

Guidance literature:

With chromium(VI) oxide; acetic acid;

DOI:10.1021/jo50004a021

upstream raw materials:

di(naphthalen-2-yl) carbonate

14-methyl-14H-dibenzo[a,j]xanthene

14-propyl-14H-dibenzo[a,j]xanthene

phenyl isocyanate

Downstream raw materials:

14-hydroxy-14-phenyldibenzo[a,j]xanthene

14-(4-chloro-benzyl)-14H-dibenzo[a,j]xanthen-14-ol

14-(4-ethyl-benzyl)-14H-dibenzo[a,j]xanthen-14-ol

1-Methylnaphthalene

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