4-Bromo-2,5-cyclohexadienone

Base Information

• Chemical Name: 4-Bromo-2,5-cyclohexadienone
• CAS No.: 84559-79-5
• Molecular Formula: C6H5BrO
• Molecular Weight: 173.009
• DSSTox Substance ID: DTXSID301304800
• Nikkaji Number: J2.061.329G
• Mol file: 84559-79-5.mol

Synonyms:4-bromo-2,5-cyclohexadienone;DTXSID301304800;4-Bromo-2,5-cyclohexadien-1-one;84559-79-5

Chemical Property of 4-Bromo-2,5-cyclohexadienone

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 171.95238
• Heavy Atom Count: 8
• Complexity: 142

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=O)C=CC1Br

Technology Process of 4-Bromo-2,5-cyclohexadienone

There total 2 articles about 4-Bromo-2,5-cyclohexadienone 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:

phenol (108-95-2,27073-41-2) → 4-bromo-cyclohexa-2,5-dienone (84559-79-5)

Guidance literature:

With bromine; potassium bromide; In water; at 25 ℃; UV absorbance during consumption of bromine; pH 2;

DOI:10.1021/ja00288a030

Reference yield:

2-hydroxybromobenzene (95-56-7) → 4-bromo-cyclohexa-2,5-dienone (84559-79-5)

Guidance literature:

at -257.15 ℃; Kinetics; UV-irradiation;

DOI:10.1016/S0009-2614(02)01294-0

Reference yield:

4-bromo-cyclohexa-2,5-dienone (84559-79-5) → 4-bromo-phenol (106-41-2)

Guidance literature:

With potassium bromide; In water; at 25 ℃; Rate constant; enolization, pH dependence;

DOI:10.1021/ja00288a030

upstream raw materials:

phenol

2-hydroxybromobenzene

Downstream raw materials:

4-bromo-phenol

Refernces

• 1、 Tee, Oswald S.,Bennett, Janice M.. "Catalysis of the Debromination of 4-Alkyl-4-bromo-2,5-cyclohexadienones in Aqueous Solution by α-Cyclodextrin". . p. 3226 - 3230. Retrieved 2007/10/02.