3,3'-Dibromobisphenol A

Base Information

• Chemical Name: 3,3'-Dibromobisphenol A
• CAS No.: 29426-78-6
• Molecular Formula: C15H14 Br2 O2
• Molecular Weight: 386.083
• Hs Code.: 2908199090
• DSSTox Substance ID: DTXSID80904259
• Nikkaji Number: J642.606I
• Wikidata: Q27104268
• Metabolomics Workbench ID: 52094
• Mol file: 29426-78-6.mol

Synonyms:Dibromobisphenol A;29426-78-6;3,3'-Dibromobisphenol A;4,4'-(propane-2,2-diyl)bis(2-bromophenol);2-bromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol;2-BROMO-4-[2-(3-BROMO-4-HYDROXY-PHENYL)PROPAN-2-YL]PHENOL;2-bromo-4-[1-(3-bromo-4-hydroxyphenyl)-1-methylethyl]phenol;3,3'-Di-Br-BPA;SCHEMBL121262;CHEBI:33219;DTXSID80904259;MFCD02246890;AKOS037649051;2,2-bis(4-hydroxy-3bromophenyl)propane;BS-16431;CS-0199078;FT-0760967;D81059;Q27104268

Chemical Property of 3,3'-Dibromobisphenol A

Chemical Property:

• Boiling Point: 409.6°Cat760mmHg
• Flash Point: 201.5°C
• PSA: 40.46000
• Density: 1.664g/cm³
• LogP: 4.94870
• Storage Temp.: 2-8°C
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 385.93401
• Heavy Atom Count: 19
• Complexity: 281

Purity/Quality:

99%, ^*data from raw suppliers

DIBROMOBISPHENOL A 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,3'-Dibromobisphenol A

There total 2 articles about 3,3'-Dibromobisphenol A 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: 88.0%

BPA (80-05-7) → 2,2-bis(3'-bromo-4'-hydroxyphenyl)-propane (29426-78-6)

Guidance literature:

With 4,4-dibromo-5-methyl-2,4-dihydro-3H-pyrazol-3-one; In acetic acid; for 24h; Ambient temperature;

DOI:10.1016/S0040-4039(97)01014-9

Reference yield: 78.0%

→ 2,2-bis(3'-bromo-4'-hydroxyphenyl)-propane (29426-78-6)

Guidance literature:

With bromine; In ethanol; at 20 ℃; for 3h; Cooling with ice;

Reference yield: 90.6%

2,2-bis(3'-bromo-4'-hydroxyphenyl)-propane (29426-78-6) + methyl iodide (74-88-4) → 2,2-bis(4-methoxy-3-bromophenyl)propane (945548-25-4)

Guidance literature:

With potassium carbonate; In acetone; at 50 - 60 ℃; for 15h; Inert atmosphere;

upstream raw materials:

BPA

Downstream raw materials:

4,4'-(propane-2,2-diyl)bis(benzene-1,2-diol)

2,2-bis(4-methoxy-3-bromophenyl)propane

Refernces

• 1、 -. "Efficient synthesis of various bromo bisphenol A allyl ether derivatives". Paragraph 0068; 0070; 0076; 0077. . Retrieved 2018/06/14.
• 2、 -. "MANUFACTURING METHOD FOR POLYCARBONATE". . . Retrieved 2008/06/13.