3-Bromo-4,5-dimethylphenol

Base Information

• Chemical Name: 3-Bromo-4,5-dimethylphenol
• CAS No.: 71942-14-8
• Molecular Formula: C8H9BrO
• Molecular Weight: 201.063
• Mol file: 71942-14-8.mol

Synonyms:5-Brom-asymm.-o-xylenol;3-bromo-4,5-dimethyl-phenol;6-Brom-4-oxy-1.2-dimethyl-benzol;3-Brom-4,5-dimethyl-phenol;

Chemical Property of 3-Bromo-4,5-dimethylphenol

Chemical Property:

• Melting Point: 103 °C
• Boiling Point: 271.9±35.0 °C(Predicted)
• PKA: 9.43±0.23(Predicted)
• PSA: 20.23000
• Density: 1.471±0.06 g/cm3(Predicted)
• LogP: 2.77150
• Storage Temp.: Inert atmosphere,Room Temperature

Purity/Quality:

98% ^*data from raw suppliers

3-Bromo-4,5-dimethylphenol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Bromo-4,5-dimethylphenol

There total 8 articles about 3-Bromo-4,5-dimethylphenol 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: 83.0%

3,4-Dimethylphenol (95-65-8) → 3-bromo-4,5-dimethylphenol (71942-14-8)

Guidance literature:

With hydrogen fluoride; bromine; antimony pentafluoride; at 45 ℃; for 1h;

DOI:10.1039/c39800000110

Reference yield: 22.0%

2,3-dimethylbromobenzene (576-23-8) → 3-bromo-4,5-dimethylphenol (71942-14-8)

Guidance literature:

With (η⁵-indenyl)(η⁴-1,5-cyclooctadiene)iridium(I); 1,2-bis-(diphenylphosphino)ethane; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In cyclohexane; at 100 ℃; for 50h; Sealed tube;

Reference yield:

3,4-Dimethylphenol (95-65-8) → 2-bromo-4,5-dimethylphenol (22802-39-7) + 3-bromo-4,5-dimethylphenol (71942-14-8) + 5,6-dibromo-3,4-dimethylphenol (71942-13-7) + 2,6-dibromo-3,4-dimethylphenol (22802-40-0)

Guidance literature:

With trifluorormethanesulfonic acid; bromine; Further byproducts given;

upstream raw materials:

dimedone

3,4-Dimethylphenol

phosphorus pentabromide

2-(3-bromo-4,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Downstream raw materials:

2,5,6-tribromo-3,4-dimethylphenol

Refernces

• 1、 -. "KRAS G12C INHIBITORS". Paragraph 0830. . Retrieved 2017/12/18.
• 2、 Maleczka Jr., Robert E.,Shi, Feng,Holmes, Daniel,Smith III, Milton R.. "C-H activation/borylation/oxidation: A one-pot unified route to meta-substituted phenols bearing ortho-/para-directing groups". . p. 7792 - 7793. Retrieved 2007/10/03.