Rheoemodin

Base Information

• Chemical Name: Rheoemodin
• CAS No.: 52940-12-2
• Molecular Formula: C₁₄H₈O₆
• Molecular Weight: 272.214
• Hs Code.: 2914690090
• UNII: 701Q96563R
• DSSTox Substance ID: DTXSID80200980
• Nikkaji Number: J133.864A
• Wikidata: Q27137137
• ChEMBL ID: CHEMBL4644937
• Mol file: 52940-12-2.mol

Synonyms:1,3,6,8-tetrahydroxyanthraquinone

Chemical Property of Rheoemodin

Chemical Property:

• Vapor Pressure: 3.09E-18mmHg at 25°C
• Boiling Point: 663.9°C at 760 mmHg
• Flash Point: 369.3°C
• PSA: 115.06000
• Density: 1.781g/cm³
• LogP: 1.28440
• XLogP3: 2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 272.03208797
• Heavy Atom Count: 20
• Complexity: 399

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3)O)O)O)O

Technology Process of Rheoemodin

There total 7 articles about Rheoemodin 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: 78.0%

Chan's diene (81114-98-9) + 2,6-dichloro-1,4-benzoquinone (697-91-6) → 1,3,6,8-tetrahydroxy anthracene-9,10-dione (52940-12-2)

Guidance literature:

Chan's diene; 2,6-dichloro-1,4-benzoquinone; With hydrogenchloride; In benzene; at 85 - 150 ℃; for 22h;

With hydrogenchloride; In tetrahydrofuran; water; benzene; for 2h; Reflux;

DOI:10.1039/c9gc03072g

Reference yield:

2,6-dichloro-1,4-benzoquinone (697-91-6) + 1,3-bis(trimethylsiloxy)-1-methoxybuta-1,3-diene (74590-73-1,81114-98-9,67609-52-3) → 1,3,6,8-tetrahydroxy anthracene-9,10-dione (52940-12-2)

Guidance literature:

2,6-dichloro-1,4-benzoquinone; 1,3-bis(trimethylsiloxy)-1-methoxybuta-1,3-diene; In benzene; at 150 ℃; for 22h; Reflux;

With hydrogenchloride; In tetrahydrofuran; benzene; for 2h; Reflux;

DOI:10.1039/d1nj05513e

Reference yield:

2,6-dichloro-1,4-benzoquinone (697-91-6) + 1,3-bis(trimethylsiloxy)-1-methoxybuta-1,3-diene (74590-73-1) → 1,3,6,8-tetrahydroxy anthracene-9,10-dione (52940-12-2)

Guidance literature:

With hydrogenchloride; Yield given. Multistep reaction;

DOI:10.1021/jo00350a020

upstream raw materials:

2,6-dichloro-1,4-benzoquinone

1,3-bis(trimethylsiloxy)-1-methoxybuta-1,3-diene

1,3,6,8-Tetramethoxy-anthrachinon

Chan's diene

Downstream raw materials:

1,3,6,8-Tetramethoxy-anthrachinon

Refernces

• 1、 Das, Kiran,De, Arijit,Husain, Syed Masood,Maity, Biswanath,Mondal, Amit,Rajput, Anshul. "A biocatalytic approach towards the preparation of natural deoxyanthraquinones and their impact on cellular viability". supporting information. p. 3087 - 3090. Retrieved 2022/02/21.