3,4-Dibromo-2,5,6-trimethylphenol

Base Information

• Chemical Name: 3,4-Dibromo-2,5,6-trimethylphenol
• CAS No.: 96089-14-4
• Molecular Formula: C9H10Br2O
• Molecular Weight: 293.986
• DSSTox Substance ID: DTXSID90540122
• Nikkaji Number: J3.048.817B

Synonyms:3,4-Dibromo-2,5,6-trimethylphenol;96089-14-4;SCHEMBL13964597;DTXSID90540122

Chemical Property of 3,4-Dibromo-2,5,6-trimethylphenol

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 293.90779
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1O)C)Br)Br)C

Technology Process of 3,4-Dibromo-2,5,6-trimethylphenol

There total 2 articles about 3,4-Dibromo-2,5,6-trimethylphenol 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: 92.0%

2,3,6-trimethylphenol (2416-94-6) → 3,4-dibromo-2,5,6-trimethylphenol (96089-14-4)

Guidance literature:

With bromine; iodine; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1021/jo202537e

Reference yield:

2,3,6-trimethylphenol (2416-94-6) → 4-bromo-2,3,6-trimethylphenol (51857-41-1) + 3,4-dibromo-2,5,6-trimethylphenol (96089-14-4)

Guidance literature:

With bis(dimethylacetamide)hydrogen tribromide; In chloroform; Yield given; Ambient temperature;

Reference yield: 97.0%

3,4-dibromo-2,5,6-trimethylphenol (96089-14-4) + dimethyl sulfate (77-78-1) → 1,2-dibromo-4-methoxy-3,5,6-trimethylbenzene (1359986-20-1)

Guidance literature:

With potassium carbonate; In acetone; at 75 ℃; for 6h;

DOI:10.1021/jo202537e

upstream raw materials:

2,3,6-trimethylphenol

Downstream raw materials:

3,4-dibromo-t-6-hydroxy-2,5,6-trimethyl-r-2,t-5-dinitrocyclohex-3-enone

3,4-dibromo-c-6-hydroxy-2,5,6-trimethyl-r-2,c-5-dinitrocyclohex-3-enone

3,4-dibromo-2,5,6-trimethyl-r-2,c-5,c-6-trinitrocyclohex-3-enone

3,4-dibromo-2,5,6-trimethyl-r-2,t-5,t-6-trinitrocyclohex-3-enone

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