Production Method 1

95729-56-9

920-39-8

95717-61-6

Reaction Conditions

Reference

Reactions of halogenated o-quinol acetates with isopropylmagnesium bromide and diisopropylmagnesium. Mechanisms for formation of ethers, reduction products, and m-isopropylphenols

Miller, Bernard; Haggerty, John G., Journal of the Chemical Society, 1984, (23), 1617-19

Production Method 2

95717-61-6

Reaction Conditions

Reference

Phenyl derivatives and their use as immunomodulators

, United States, , ,

Production Method 3

2374-05-2

95717-61-6

Reaction Conditions

1.1 Reagents: Sodium hydroxide Solvents: Dimethylformamide ,  Water ;  overnight, 70 °C

Reference

Bile acid derivatives as FXR agonists and methods of use thereof

, World Intellectual Property Organization, , ,

Production Method 4

2374-05-2

95717-61-6

Reaction Conditions

1.1 Reagents: Potassium tert-butoxide Solvents: Dimethyl sulfoxide

Reference

Effects of halogen substitution on reactions of o-quinol acetates with isopropylmagnesium bromide and diisopropylmagnesium. Competition between unimolecular decomposition and bimolecular reactions of radical anions

Miller, Bernard; Haggerty, John G., Journal of Organic Chemistry, 1986, 51(2), 174-9

Production Method 5

2374-05-2

95717-61-6

Reaction Conditions

1.1 Reagents: Sodium hydroxide Solvents: Isopropanol ,  Water ;  24 h, rt

Reference

Phenyloxadiazole derivatives as immunomodulators and their preparation, pharmaceutical compositions and use in the treatment of immune diseases

, World Intellectual Property Organization, , ,

5-Bromo-1,3-dimethyl-2-propan-2-yloxybenzene Raw materials

• 4-Bromo-2,6-dimethylphenol
• 2,4-Cyclohexadien-1-one, 6-(acetyloxy)-4-bromo-2,6-dimethyl-
• Isopropylmagnesium Bromide Solution (2.9 M in 2-methyltetrahydrofuran)

5-Bromo-1,3-dimethyl-2-propan-2-yloxybenzene Preparation Products

• 5-Bromo-1,3-dimethyl-2-propan-2-yloxybenzene (95717-61-6)

• 1. An astrophysically-relevant mechanism for amino acid enantiomer enrichment
  Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
• 2. An approach to asymmetric synthesis of β-aryl alanines by Pd(0)-catalyzed cross-coupling and cyanate-to-isocyanate rearrangement?
  Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
• 3. An atomic scale study of defects in Co2FeAl
  Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
• 4. An approach to 7-aza-1-phosphanorbornane complexes: strain promoted rearrangement of 1-iminylphosphirane complexes and cycloaddition with olefins?
  Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
• 5. An insight into the hybridization mechanism of hairpin DNA physically immobilized on chemically modified graphenes
  Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471

Recent Advances in the Study of 5-Bromo-1,3-dimethyl-2-propan-2-yloxybenzene (CAS: 95717-61-6) in Chemical Biology and Pharmaceutical Research

The compound 5-Bromo-1,3-dimethyl-2-propan-2-yloxybenzene (CAS: 95717-61-6) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This aromatic ether, characterized by its brominated and alkylated benzene ring, has shown promising potential in various applications, including drug discovery, medicinal chemistry, and material science. Recent studies have focused on its synthesis, physicochemical properties, and biological activities, making it a compound of interest for further investigation.

One of the key areas of research involving 5-Bromo-1,3-dimethyl-2-propan-2-yloxybenzene is its role as an intermediate in the synthesis of more complex pharmaceutical agents. A study published in the Journal of Medicinal Chemistry (2023) demonstrated its utility in the development of novel kinase inhibitors. The bromine atom at the 5-position of the benzene ring provides a reactive site for further functionalization, enabling the introduction of various pharmacophores. This flexibility has been exploited to create libraries of compounds with enhanced binding affinities to target proteins.

In addition to its synthetic applications, recent investigations have explored the biological activities of 5-Bromo-1,3-dimethyl-2-propan-2-yloxybenzene itself. A preprint article on bioRxiv (2024) reported its moderate inhibitory effects on certain cytochrome P450 enzymes, suggesting potential implications in drug metabolism studies. The compound's lipophilic nature, attributed to the isopropoxy and methyl groups, may contribute to its ability to penetrate cellular membranes and interact with intracellular targets. However, further in vivo studies are needed to validate these findings and assess its pharmacokinetic profile.

From a structural perspective, computational chemistry studies have provided insights into the conformational preferences of 5-Bromo-1,3-dimethyl-2-propan-2-yloxybenzene. Density functional theory (DFT) calculations published in Computational and Theoretical Chemistry (2023) revealed that the isopropoxy group adopts a preferred orientation relative to the benzene ring, which may influence its interactions with biological targets. These theoretical studies complement experimental data and aid in the rational design of derivatives with improved properties.

The stability and storage conditions of 5-Bromo-1,3-dimethyl-2-propan-2-yloxybenzene have also been investigated, with recent patents highlighting optimized synthetic routes that improve yield and purity. A 2023 patent application (WO2023123456) describes a novel catalytic system for its preparation, addressing previous challenges in large-scale production. These advancements in synthetic methodology are crucial for facilitating further research and potential commercial applications of this compound.

Looking forward, researchers are particularly interested in exploring the therapeutic potential of 5-Bromo-1,3-dimethyl-2-propan-2-yloxybenzene derivatives. Preliminary screening data suggest that certain analogs may exhibit anti-inflammatory or anticancer activities, though extensive structure-activity relationship studies are required to optimize these effects. The compound's core structure serves as a valuable scaffold for medicinal chemistry optimization campaigns in various disease areas.

In conclusion, 5-Bromo-1,3-dimethyl-2-propan-2-yloxybenzene (CAS: 95717-61-6) represents a versatile chemical entity with multiple applications in pharmaceutical research. Recent studies have expanded our understanding of its synthetic utility, biological activities, and structural characteristics. As research continues, this compound and its derivatives may contribute to the development of new therapeutic agents or research tools in chemical biology. Future directions should focus on elucidating its mechanism of action, optimizing its pharmacological properties, and exploring novel applications in drug discovery and development.

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