Tetrabromobisphenol A bismethyl ether

Base Information

• Chemical Name: Tetrabromobisphenol A bismethyl ether
• CAS No.: 37853-61-5
• Deprecated CAS: 108608-62-4
• Molecular Formula: C₁₇H₁₆Br₄O₂
• Molecular Weight: 571.929
• European Community (EC) Number: 253-693-9
• DSSTox Substance ID: DTXSID10865889
• Nikkaji Number: J193.895I
• Wikidata: Q81978132
• Mol file: 37853-61-5.mol

Synonyms:TBBPA DME;tetrabromobisphenol A dimethyl ether

Chemical Property of Tetrabromobisphenol A bismethyl ether

Chemical Property:

• Boiling Point: 468.4°Cat760mmHg
• Flash Point: 195.2°C
• PSA: 18.46000
• Density: 1.813g/cm³
• LogP: 7.07970
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 571.78428
• Heavy Atom Count: 23
• Complexity: 335

Purity/Quality:

98%Min ^*data from raw suppliers

TetrabromobisphenolADimethylEther ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C1=CC(=C(C(=C1)Br)OC)Br)C2=CC(=C(C(=C2)Br)OC)Br
• Uses: Tetrabromobisphenol A Dimethyl Ether is the microbial methylated byproduct of flame retardant Tetrabromobisphenol-A.

Technology Process of Tetrabromobisphenol A bismethyl ether

There total 2 articles about Tetrabromobisphenol A bismethyl 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: 96.2%

Tetrabromobisphenol A (79-94-7) + methyl iodide (74-88-4) → 5,5'-(propane-2,2-diyl)bis(1,3-dibromo-2-methoxybenzene) (37853-61-5)

Guidance literature:

With potassium carbonate; In acetone; at 50 - 60 ℃; Inert atmosphere;

Reference yield: 59.1%

Tetrabromobisphenol A (79-94-7) + methyl iodide (74-88-4) → tetrabromobisphenol A monomethyl ether (146823-76-9) + 5,5'-(propane-2,2-diyl)bis(1,3-dibromo-2-methoxybenzene) (37853-61-5)

Guidance literature:

With sodium hydroxide; In acetonitrile; at 20 - 60 ℃; for 2.25h; Reagent/catalyst; Solvent;

Reference yield: 55.3%

4-methoxycarbonylphenylboronic acid (99768-12-4) + 5,5'-(propane-2,2-diyl)bis(1,3-dibromo-2-methoxybenzene) (37853-61-5) → tetramethyl 5',5-(propane-2,2-diyl)bis(2'-methoxy[1,1':3',1-terphenyl])-4,4-dicarboxylate

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; cesium fluoride; In 1,2-dimethoxyethane; Schlenk technique; Inert atmosphere; Reflux;

DOI:10.1039/c3ta12761c

upstream raw materials:

Tetrabromobisphenol A

methyl iodide