• 1. Distinct correlation between (CN2)x units and pores: a low-cost method for predesigned wide range control of micropore size of porous carbon?
  Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
• 2. Exceptional activity of sub-nm Pt clusters on CdS for photocatalytic hydrogen production: a combined experimental and first-principles study?
  Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
• 3. Examination of ammonia–poly(pyrrole) interactions by piezoelectric and conductivity measurements
  Analyst, 1991,116, 1125-1130
• 4. Establishing new scaling relations on two-dimensional MXenes for CO2 electroreduction?
  Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
• 5. Emulsion technologies for multicellular tumour spheroid radiation assays?
  Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110

• Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzoic acid esters
• Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Benzoic acid esters

Methyl 3-bromo-4-(dimethylamino)benzoate (CAS No. 71695-21-1): A Versatile Intermediate in Modern Chemical Biology and Medicinal Chemistry

Methyl 3-bromo-4-(dimethylamino)benzoate, identified by its unique chemical identifier CAS No. 71695-21-1, represents a significant compound in the realm of chemical biology and medicinal chemistry. This benzoate derivative, characterized by the presence of both a bromine substituent at the third position and a dimethylamino group at the fourth position, has garnered considerable attention due to its structural versatility and functional utility. The compound serves as a crucial intermediate in the synthesis of various pharmacologically active molecules, making it an indispensable tool for researchers exploring novel therapeutic agents.

The structural motif of Methyl 3-bromo-4-(dimethylamino)benzoate is particularly noteworthy for its potential in modulating biological pathways. The bromine atom at the third position enhances its reactivity, allowing for further functionalization through cross-coupling reactions such as Suzuki-Miyaura and Buchwald-Hartwig couplings. These reactions are pivotal in constructing complex molecular architectures, which are often essential for achieving high affinity and selectivity in drug design. Additionally, the dimethylamino group contributes to the compound's basicity, enabling interactions with acidic pharmacophores in target molecules.

Recent advancements in medicinal chemistry have highlighted the importance of benzoate derivatives in developing treatments for various diseases. Specifically, studies have demonstrated that modifications at the aromatic ring of benzoic acid analogs can significantly alter their biological activity. For instance, the introduction of electron-withdrawing groups like bromine can enhance binding affinity to certain enzymes or receptors, while electron-donating groups such as dimethylamino can improve solubility and metabolic stability. This dual functionality makes Methyl 3-bromo-4-(dimethylamino)benzoate an attractive candidate for further derivatization.

In the context of drug discovery, the utility of this compound extends to its role as a precursor in synthesizing kinase inhibitors, which are critical targets in oncology research. Kinases play a central role in cell signaling pathways, and their dysregulation is often associated with cancer development. By leveraging the reactivity of the bromine and dimethylamino groups, chemists can design inhibitors that selectively bind to active kinases, thereby disrupting aberrant signaling networks. The benzoate core itself provides a scaffold that can be further modified to optimize pharmacokinetic properties.

Moreover, research in chemical biology has begun to explore the potential of Methyl 3-bromo-4-(dimethylamino)benzoate in developing probes for studying protein-protein interactions. The compound's ability to undergo selective labeling or modification allows researchers to track specific proteins within cellular environments. This capability is particularly valuable for elucidating complex biological processes and identifying novel therapeutic targets. The versatility of this intermediate underscores its importance not only as a synthetic building block but also as a tool for biochemical investigation.

The synthesis of Methyl 3-bromo-4-(dimethylamino)benzoate typically involves multi-step organic transformations that highlight modern synthetic methodologies. Starting from commercially available benzoic acid derivatives, bromination at the desired position is achieved using reagents such as N-bromosuccinimide (NBS). Subsequent amination introduces the dimethylamino group through nucleophilic aromatic substitution or reductive amination techniques. The final esterification step converts the carboxylic acid into its methyl ester form, yielding the desired product with high purity and yield.

The latest research trends indicate that benzoate derivatives continue to be a fertile ground for innovation in drug discovery. For example, computational chemistry approaches have been employed to predict optimal substituents on the benzoate ring that enhance binding affinity to biological targets. These virtual screening methods complement traditional synthetic strategies by rapidly identifying promising candidates for experimental validation. The integration of machine learning algorithms further accelerates this process by predicting physicochemical properties andADME (Absorption, Distribution, Metabolism, Excretion) profiles.

In conclusion, Methyl 3-bromo-4-(dimethylamino)benzoate (CAS No. 71695-21-1) stands out as a versatile intermediate with broad applications in chemical biology and medicinal chemistry. Its unique structural features enable diverse synthetic modifications, making it invaluable for constructing complex pharmacophores targeting various diseases. As research continues to uncover new therapeutic opportunities, this compound will undoubtedly remain at the forefront of drug discovery efforts.

• 923031-60-1(Benzoic acid, 4-[(4-bromophenyl)phenylamino]-, ethyl ester)
• 1131594-51-8(Ethyl 3-bromo-4-(diethylamino)benzoate)
• 106896-49-5(Methyl 4-amino-3-bromobenzoate)
• 1131594-52-9(Ethyl 3-bromo-4-(butylamino)benzoate)
• 1131615-02-5(Methyl 3-bromo-4-(methylamino)benzoate)
• 220844-83-7(3-Bromo-4-(dimethylamino)benzoic acid)
• 3282-10-8(Methyl 4-amino-3,5-dibromobenzoate)
• 1131594-53-0(Butyl 3-bromo-4-(dimethylamino)benzoate)
• 1131594-49-4(Methyl 3-bromo-4-(piperazin-1-yl)benzoate)
• 7149-03-3(4-AMINO-3-BROMO-BENZOIC ACID ETHYL ESTER)