2,4,6-Tribromo-5,5-dimethylcyclohexane-1,3-dione

Base Information

• Chemical Name: 2,4,6-Tribromo-5,5-dimethylcyclohexane-1,3-dione
• CAS No.: 21428-76-2
• Molecular Formula: C₈H₉Br₃O₂
• Molecular Weight: 376.87
• DSSTox Substance ID: DTXSID80380352
• Mol file: 21428-76-2.mol

Synonyms:2,4,6-tribromo-5,5-dimethylcyclohexane-1,3-dione;21428-76-2;1,3-Cyclohexanedione,2,4,6-tribromo-5,5-dimethyl-;DTXSID80380352

Chemical Property of 2,4,6-Tribromo-5,5-dimethylcyclohexane-1,3-dione

Chemical Property:

• Melting Point: 186 °C
• Boiling Point: 359.4±42.0 °C(Predicted)
• PKA: 0.17±0.70(Predicted)
• PSA: 34.14000
• Density: 2.082±0.06 g/cm3(Predicted)
• LogP: 2.45490
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 375.81322
• Heavy Atom Count: 13
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

2,4,6-TRIBROMO-5,5-DIMETHYLCYCLOHEXANE-1,3-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(C(=O)C(C(=O)C1Br)Br)Br)C

Technology Process of 2,4,6-Tribromo-5,5-dimethylcyclohexane-1,3-dione

There total 6 articles about 2,4,6-Tribromo-5,5-dimethylcyclohexane-1,3-dione 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:

dimedone (126-81-8) → 2,4,6-tribromo-5,5-dimethyl-cyclohexane-1,3-dione (21428-76-2)

Guidance literature:

With bromine; acetic acid;

DOI:10.1021/ja01208a009

Reference yield:

2,2-dibromo-5,5-dimethylcyclohexane-1,3-dione (21428-65-9) → 2,4,6-tribromo-5,5-dimethyl-cyclohexane-1,3-dione (21428-76-2)

Guidance literature:

With hydrogen bromide; acetic acid;

DOI:10.1021/ja01208a009

Reference yield:

2,2,4-tribromo-5,5-dimethyl-cyclohexane-1,3-dione (21428-75-1) → 2,4,6-tribromo-5,5-dimethyl-cyclohexane-1,3-dione (21428-76-2)

Guidance literature:

With hydrogen bromide; In N,N-dimethyl-formamide;

upstream raw materials:

2,2-dibromo-5,5-dimethylcyclohexane-1,3-dione

dimedone

acetone

2,2,4-tribromo-5,5-dimethyl-cyclohexane-1,3-dione

Downstream raw materials:

4,6-dibromo-5,5-dimethyl-cyclohexane-1,3-dione

2,3,5-Tribrom-4,4-dimethyl-cyclopent-2-en-1-on