5,7-Dichloroemodin

Base Information

• Chemical Name: 5,7-Dichloroemodin
• CAS No.: 19697-87-1
• Molecular Formula: C15H8Cl2O5
• UNII: V575W82ULX
• Nikkaji Number: J156.640G
• Mol file: 19697-87-1.mol

Synonyms:5,7-Dichloroemodin;V575W82ULX;1,3-Dichloro-2,4,5-trihydroxy-7-methylanthraquinone;UNII-V575W82ULX;19697-87-1;Anthraquinone, 1,3-dichloro-2,4,5-trihydroxy-7-methyl-;9,10-Anthracenedione, 1,3-dichloro-2,4,5-trihydroxy-7-methyl-;2,4-dichloroemodin;Q27291549

Chemical Property of 5,7-Dichloroemodin

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 337.9748787
• Heavy Atom Count: 22
• Complexity: 498

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)Cl)O)Cl

Technology Process of 5,7-Dichloroemodin

There total 2 articles about 5,7-Dichloroemodin 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: 30.0%

1,6,8-trihydroxy-3-methyl-9,10-anthraquinone (518-82-1) → 1,3,8-Trihydroxy-2-chlor-6-methylanthrachinon (18521-72-7) + 1,3-dichloro-2,4,5-trihydroxy-7-methylanthracene-9,10-dione (19697-87-1) + 1-chloro-2,4,5-trihydroxy-7-methyl-anthracene-9,10-dione

Guidance literature:

With potassium dihydrogenphosphate; potassium chloride; dihydrogen peroxide; fungal chloroperoxidase (EC 1.11.1.10); In water; N,N-dimethyl-formamide; at 25 ℃; for 68h; pH=3.4;

DOI:10.1016/S0031-9422(96)00384-6

Reference yield: 24.0%

1,6,8-trihydroxy-3-methyl-9,10-anthraquinone (518-82-1) → 1,3,8-Trihydroxy-2-chlor-6-methylanthrachinon (18521-72-7) + 1,3-dichloro-2,4,5-trihydroxy-7-methylanthracene-9,10-dione (19697-87-1)

Guidance literature:

With N-chloro-succinimide; In N,N-dimethyl-formamide; for 24h;

DOI:10.1016/0031-9422(95)00407-X

upstream raw materials:

1,6,8-trihydroxy-3-methyl-9,10-anthraquinone

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