10-Acetyl dithranol

Base Information

• Chemical Name: 10-Acetyl dithranol
• CAS No.: 3022-61-5
• Molecular Formula: C₁₆H₁₂O₄
• Molecular Weight: 268.269
• DSSTox Substance ID: DTXSID30184322
• Nikkaji Number: J431.250C
• Wikidata: Q83055251
• ChEMBL ID: CHEMBL339332
• Mol file: 3022-61-5.mol

Synonyms:10-acetyl dithranol

Chemical Property of 10-Acetyl dithranol

Chemical Property:

• Vapor Pressure: 1.25E-09mmHg at 25°C
• Boiling Point: 474.6°Cat760mmHg
• Flash Point: 254.9°C
• PSA: 74.60000
• Density: 1.406g/cm³
• LogP: 2.36310
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 268.07355886
• Heavy Atom Count: 20
• Complexity: 389

Purity/Quality:

98%min ^*data from raw suppliers

10-ACETYL DITHRANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O

Technology Process of 10-Acetyl dithranol

There total 2 articles about 10-Acetyl dithranol 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:

1,8-dihydroxy-9(10H)-anthracenone (1143-38-0) + acetyl chloride (75-36-5) → 1,8-dihydroxy-10-acetylanthrone (3022-61-5)

Guidance literature:

With pyridine; In benzene; Heating;

DOI:10.1021/jm00199a005

Reference yield:

Ketene (463-51-4) + 1,8-dihydroxy-9(10H)-anthracenone (1143-38-0) → 1,8-dihydroxy-10-acetylanthrone (3022-61-5)

Guidance literature:

With pyridine; In benzene;

DOI:10.1002/ardp.19652980508

Reference yield:

1,8-dihydroxy-10-acetylanthrone (3022-61-5) → 1,8-diacetoxy-9,10-anthraquinone (1963-82-2)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOAc / 150 °C

2: CrO₃, AcOH

With chromium(VI) oxide; sodium acetate; acetic acid;

DOI:10.1002/ardp.19652980508

upstream raw materials:

1,8-dihydroxy-9(10H)-anthracenone

acetyl chloride

Ketene

Downstream raw materials:

1,8-diacetoxy-9,10-anthraquinone

Refernces

• 1、 Schultz,Schultze Mosgaue. "Substitution of 1,8-dihydroxyanthron-9 in the meso-(10)-position. XI. On laxatives". . p. 313 - 320. Retrieved 2007/10/12.