Anthraquinone, 2-hexanoyl-1,3,8-trihydroxy-6-methoxy-

Base Information

• Chemical Name: Anthraquinone, 2-hexanoyl-1,3,8-trihydroxy-6-methoxy-
• CAS No.: 10210-21-6
• Molecular Formula: C21H20 O7
• Molecular Weight: 384.386
• Hs Code.: 2914690090
• NSC Number: 258318
• UNII: GFT6JJ47QX
• DSSTox Substance ID: DTXSID40144639
• Nikkaji Number: J15.640J
• Wikidata: Q77373703
• Metabolomics Workbench ID: 113585
• Mol file: 10210-21-6.mol

Synonyms:10210-21-6;Anthraquinone, 2-hexanoyl-1,3,8-trihydroxy-6-methoxy-;2-hexanoyl-1,3,8-trihydroxy-6-methoxyanthracene-9,10-dione;GFT6JJ47QX;NSC 258318;NSC-258318;1,3,8-Trihydroxy-6-methoxy-2-(1-oxohexyl)-9,10-anthracenedione;9,10-Anthracenedione, 1,3,8-trihydroxy-6-methoxy-2-(1-oxohexyl)-;1,3,8-Trihydroxy-6-methoxy-2-(1-oxohexyl)-9,10-anthraquinone;NSC258318;UNII-GFT6JJ47QX;SCHEMBL16226154;DTXSID40144639;CHEBI:144072;Anthraquinone,3,8-trihydroxy-6-methoxy-;WLN: L C666 BV IVJ DQ EV5 FQ LO1 NQ;9, 1,3,8-trihydroxy-6-methoxy-2-(1-oxohexyl)-

Chemical Property of Anthraquinone, 2-hexanoyl-1,3,8-trihydroxy-6-methoxy-

Chemical Property:

• Vapor Pressure: 1.22E-15mmHg at 25°C
• Boiling Point: 613.4°C at 760 mmHg
• Flash Point: 217.7°C
• PSA: 121.13000
• Density: 1.393g/cm³
• LogP: 3.35040
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 384.12090297
• Heavy Atom Count: 28
• Complexity: 618

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)OC)O

Technology Process of Anthraquinone, 2-hexanoyl-1,3,8-trihydroxy-6-methoxy-

There total 2 articles about Anthraquinone, 2-hexanoyl-1,3,8-trihydroxy-6-methoxy- 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: 46.0%

Brassard's diene (90857-62-8,106875-55-2,74272-66-5) + 3-chloro-6-hexanoyl-7-hydroxyjuglone (161788-11-0) → norsolorinic acid (10254-99-6) + solorinic acid (10210-21-6)

Guidance literature:

With hydrogenchloride; 1.) -10 deg C, 30 min then r.t., 1 h; 2.) THF, r.t., 1 h;

DOI:10.1055/s-1994-25553

Reference yield:

→ solorinic acid (10210-21-6)

Guidance literature:

Entspr. Tetramethoxy-Verb., wss. HBr, Eg.;

Reference yield:

solorinic acid (10210-21-6) → 2-methylanthracene (613-12-7)

Guidance literature:

DOI:10.1007/BF01755655

upstream raw materials:

Brassard's diene

3-chloro-6-hexanoyl-7-hydroxyjuglone

Downstream raw materials:

2-methylanthracene

hexanoic acid

methyl iodide

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