Bromhydrol

Base Information

• Chemical Name: Bromhydrol
• CAS No.: 7727-15-3
• Deprecated CAS: 39380-76-2,56803-00-0
• Molecular Formula: AlBr3
• Molecular Weight: 266.694
• Hs Code.: 28275900
• UNII: IY20HBK5LK
• DSSTox Substance ID: DTXSID2064783
• Nikkaji Number: J3.107K
• Mol file: 7727-15-3.mol

Synonyms:Bromhydrol;Al bromohydrate;Basic aluminum bromide;Aluminum hydroxybromide;Aluminum bromide, basic;aluminum tri-bromide;aluminum(III) bromide;ALUMINUM BROMIDE [MI];ALUMINUM BROMIDE [HSDB];DTXSID2064783;AKOS024438101;AKOS032950058;12794-92-2;LS-16460;Aluminum bromide, 99.99% trace metals grade

Chemical Property of Bromhydrol

Chemical Property:

• Appearance/Colour: white crystalline powder
• Melting Point: 94-98 °C(lit.)
• Boiling Point: 265 °C
• Flash Point: 268°C subl.
• PSA: 0.00000
• Density: 3.205 g/mL at 25 °C(lit.)
• LogP: 2.53680
• Water Solubility.: decomposes
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 265.73450
• Heavy Atom Count: 4
• Complexity: 0

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): C,Xi,N,F
• Hazard Codes: C:Corrosive
• Statements: R22:; R34:
• Safety Statements: S36/37/39:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: [Al+3].[Br-].[Br-].[Br-]
• General Description: Aluminum bromide (AlBr₃) is a highly reactive compound that exists in equilibrium with its dimeric form (Al₂Br₆) and potentially higher oligomers like Al₃Br₉ in the vapor phase, as demonstrated by thermodynamic studies. It participates in Friedel-Crafts reactions, forming ionic species such as Al₂Br₇^- in solution, where it exhibits higher local symmetry compared to its solid-state structure. Additionally, AlBr₃ serves as a Lewis acid in ionic liquids, facilitating reversible halide exchange reactions in cluster compounds. Its reactivity is further highlighted in organometallic synthesis, where it forms dimeric structures with bridging halides, such as in di(tert-butyl)aluminum bromide.

Technology Process of Bromhydrol

There total 26 articles about Bromhydrol 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: 94.0%

phenylaluminium dichloride (3530-39-0) + allyl bromide (106-95-6) → allylbenzene (300-57-2,57807-91-7) + biphenyl (92-52-4,1594-86-1) + aluminium bromide (7727-15-3)

Guidance literature:

bis(η3-allyl-μ-chloropalladium(II)); In diethyl ether; Ar atmosphere; stirring (20°C, 5 mole-% catalyst, 8 h);

DOI:10.1007/BF00959210

Reference yield: 37.0%

diphenylaluminum chloride (6591-30-6) + allyl bromide (106-95-6) → allylbenzene (300-57-2,57807-91-7) + biphenyl (92-52-4,1594-86-1) + aluminium bromide (7727-15-3)

Guidance literature:

tetrakis(triphenylphosphine) palladium⁽⁰⁾; In diethyl ether; Ar atmosphere; stirring (20°C, 5 mole-% catalyst, 20 h);

DOI:10.1007/BF00959210

Reference yield:

AsBr4(1+)*AlBr4(1-)={AsBr4}{AlBr4} (119484-32-1) → bromine (7726-95-6) + aluminium bromide (7727-15-3) + arsenic(III) bromide (7784-33-0)

Guidance literature:

equilibrium at room temp.;

DOI:10.1039/C39880001426

upstream raw materials:

1,1-dibromomethane

Bromoform

aluminum oxide

disulphur dibromide

Downstream raw materials:

2-(4-ethoxyphenyl)-4,5-dihydro-1H-oxazole

ethyl bromide

chloroethane

n-heptan1ol

Refernces

Chiral oxazaborolidine - Aluminum bromide complexes are unusually powerful and effective catalysts for enantioselective Diels - Alder reactions

10.1021/ja068637r

The research focuses on the development of chiral oxazaborolidine-aluminum bromide complexes as effective catalysts for enantioselective Diels-Alder reactions. The study investigates the protonation of oxazaborolidine with triflic acid to form a chiral oxazaborolidinium cation, which is then complexed with aluminum bromide (AlBr3) to create a highly efficient catalyst (complex 3). Various experiments were conducted using cyclopentadiene and diverse dienophiles, demonstrating that only 4 mol % of catalyst 3 yielded excellent reaction yields and enantioselectivity. The effectiveness of the catalyst was analyzed through 1H NMR spectroscopy, optical rotation, and HPLC or GC analysis with chiral columns, confirming that the catalyst significantly outperformed previous catalysts in terms of efficiency and recovery for larger-scale syntheses.

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