6,13-Dichlorotriphenodioxazine

Base Information

• Chemical Name: 6,13-Dichlorotriphenodioxazine
• CAS No.: 4794-44-9
• Molecular Formula: C₁₈H₈Cl₂N₂O₂
• Molecular Weight: 355.18
• DSSTox Substance ID: DTXSID80494367
• Nikkaji Number: J665.418E
• Wikidata: Q82341668
• Mol file: 4794-44-9.mol

Synonyms:6,13-DICHLOROTRIPHENODIOXAZINE;4794-44-9;SCHEMBL8157237;DTXSID80494367;6,13-Dichloro[1,4]benzoxazino[2,3-b]phenoxazine

Chemical Property of 6,13-Dichlorotriphenodioxazine

Chemical Property:

• PSA: 43.18000
• LogP: 3.97860
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 353.9962829
• Heavy Atom Count: 24
• Complexity: 650

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C3C(=C(C4=NC5=CC=CC=C5OC4=C3Cl)Cl)O2

Technology Process of 6,13-Dichlorotriphenodioxazine

There total 5 articles about 6,13-Dichlorotriphenodioxazine 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: 87.0%

2,5-dianilino-3,6-dichloro-1,4-benzoquinone (5030-67-1) → 6,13-dichlorotriphenodioxazine (4794-44-9)

Guidance literature:

With [bis(acetoxy)iodo]benzene; sodium acetate; In methanol; N,N-dimethyl-formamide; at 25 ℃; for 2h;

DOI:10.1039/a903221e

Reference yield:

2,5-dichloro-3,6-bis-(2-methoxy-anilino)-[1,4]benzoquinone (13437-25-7) → 6,13-dichlorotriphenodioxazine (4794-44-9)

Guidance literature:

With pyridine; aluminium trichloride;

DOI:10.1002/hlca.193902201170

Reference yield:

2-methoxy-phenylamine (90-04-0) → 6,13-dichlorotriphenodioxazine (4794-44-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium acetate; 1.2-dichlorobenzene

2: benzoyl chloride; nitrobenzene

With sodium acetate; benzoyl chloride; nitrobenzene; 1,2-dichloro-benzene;

DOI:10.1002/hlca.193902201170

upstream raw materials:

2,5-dichloro-3,6-bis-(2-methoxy-anilino)-[1,4]benzoquinone

2,5-dianilino-3,6-dichloro-1,4-benzoquinone

2-methoxy-phenylamine

chloranil

Refernces