Rubiadin 1-methyl ether

Base Information

• Chemical Name: Rubiadin 1-methyl ether
• CAS No.: 7460-43-7
• Molecular Formula: C16H12O4
• Molecular Weight: 268.269
• Hs Code.: 2914690090
• European Community (EC) Number: 683-131-1
• NSC Number: 59063
• UNII: MK2IXH6AUE
• DSSTox Substance ID: DTXSID80225572
• Nikkaji Number: J533.633C
• Wikidata: Q72506833
• ChEMBL ID: CHEMBL3921530
• Mol file: 7460-43-7.mol

Synonyms:rubiadin 1-methyl ether

Chemical Property of Rubiadin 1-methyl ether

Chemical Property:

• Vapor Pressure: 1.05E-10mmHg at 25°C
• Melting Point: 291 °C
• Refractive Index: 1.649
• Boiling Point: 502.2 °C at 760 mmHg
• PKA: 7.40±0.20(Predicted)
• Flash Point: 193 °C
• PSA: 63.60000
• Density: 1.356 g/cm³
• LogP: 2.48460
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 268.07355886
• Heavy Atom Count: 20
• Complexity: 419

Purity/Quality:

≥98% ^*data from raw suppliers

Rubiadin-1-methyl Ether ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C2C(=C1OC)C(=O)C3=CC=CC=C3C2=O)O
• Uses: Rubiadin-1-methyl Ether can be used as a drug to treat osteosarcoma.

Technology Process of Rubiadin 1-methyl ether

There total 3 articles about Rubiadin 1-methyl ether 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:

rubiadin (117-02-2) + dimethyl sulfate (77-78-1) → rubiadin-1-methyl ether (7460-43-7)

Guidance literature:

With potassium carbonate; In acetone; for 22h; Reflux;

DOI:10.3390/molecules180810042

Reference yield:

3-acetoxy-1-methoxy-2-methylanthraquinone (2324-25-6) → rubiadin-1-methyl ether (7460-43-7)

Guidance literature:

With potassium hydroxide;

DOI:10.1039/jr9300001699

Reference yield:

rubiadin (117-02-2) → rubiadin-1-methyl ether (7460-43-7)

Guidance literature:

(methylation);

DOI:10.1039/j39680000854

upstream raw materials:

3-acetoxy-1-methoxy-2-methylanthraquinone

rubiadin

dimethyl sulfate

Downstream raw materials:

rubiadin

nordamnacanthal

lucidin dimethyl ether

Refernces