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• Solvents and Organic Chemicals Organic Compounds Organohalogen compounds Organobromides Organobromides
• Solvents and Organic Chemicals Organic Compounds Organohalogen compounds Organobromides

Comprehensive Overview of 4-Bromobutan-1-amine (CAS No. 33977-38-7): Properties, Applications, and Industry Insights

4-Bromobutan-1-amine (CAS No. 33977-38-7), also known as 4-bromo-1-butylamine, is a versatile organic intermediate widely utilized in pharmaceutical synthesis, agrochemical production, and material science. This halogenated amine compound features a bromine atom at the terminal carbon of a butyl chain, making it a valuable building block for N-alkylation reactions and cross-coupling chemistry. Its molecular formula, C₄H₁₀BrN, and reactive primary amine group enable diverse transformations, aligning with modern demands for sustainable chemistry and atom-efficient synthesis.

In recent years, the demand for 4-Bromobutan-1-amine has surged due to its role in synthesizing bioactive molecules, particularly in central nervous system (CNS) drug discovery. Researchers highlight its utility in creating GABA receptor modulators and neurotransmitter analogs, addressing trending topics like neurological disorder therapeutics. The compound’s structure-activity relationship (SAR) flexibility allows medicinal chemists to explore novel pharmacophores, a frequent subject in AI-driven drug design queries.

The physicochemical properties of CAS 33977-38-7 include a molecular weight of 152.03 g/mol, a boiling point of 185–190°C, and moderate water solubility. These characteristics make it compatible with green solvent alternatives—a hot topic in environmentally friendly synthesis. Industry reports emphasize its growing adoption in flow chemistry systems, where its reactivity profile reduces reaction times compared to traditional batch processing methods.

From an industrial perspective, 4-bromo-1-butylamine serves as a precursor for liquid crystal materials and ionic liquids, aligning with renewable energy trends like advanced battery electrolytes. Patent analyses reveal its use in OLED manufacturing, particularly for electron transport layers, reflecting the compound’s relevance in next-gen display technologies. Quality standards for 33977-38-7 typically require ≥97% purity (HPLC), with strict control of brominated byproducts to meet REACH compliance.

Synthetic routes to 4-Bromobutan-1-amine often involve Gabriel synthesis or Hofmann rearrangement of corresponding bromoacids. Recent innovations focus on catalytic amination using transition metal complexes, reducing waste generation—a key concern in circular economy discussions. Analytical techniques like GC-MS and NMR spectroscopy are critical for verifying its stability, as decomposition may form secondary amines under prolonged storage.

Market intelligence indicates rising interest in 33977-38-7 from contract research organizations (CROs) and generic API manufacturers. Regulatory databases show increased PMDA and FDA filings referencing this intermediate, particularly for orphan drug applications. Safety data sheets recommend handling under nitrogen atmosphere due to its sensitivity to carbon dioxide absorption, a technical detail frequently searched by process chemists.

Emerging applications include bioconjugation chemistry, where the bromoalkyl chain enables site-specific protein modification—a technique gaining traction in ADC (antibody-drug conjugate) development. The compound’s XLogP3-AA value of 1.2 makes it suitable for lipophilic balance optimization, a recurring theme in drug delivery system research. Computational studies using molecular docking software highlight its potential as a scaffold modifier in kinase inhibitor design.

Supply chain analytics reveal that 4-Bromobutan-1-amine production is concentrated in specialty chemical hubs like Hyderabad and Shanghai, with stringent ICH Q7 guidelines compliance. Industry forums discuss challenges in bromine recovery during synthesis, prompting investigations into electrochemical bromination methods. The compound’s HS code 2921.19.00 classification facilitates global trade, though regional variations in chemical inventory listings require careful navigation.

Academic literature documents novel uses in MOF (metal-organic framework) functionalization, leveraging the amine group for post-synthetic modification. This connects to trending searches about CO2 capture materials and heterogeneous catalysis. Stability studies under accelerated degradation conditions confirm its robustness in multistep synthesis, with degradation primarily occurring via HBr elimination pathways.

Future prospects for CAS 33977-38-7 include continuous manufacturing integration and enzyme-mediated amination processes. Its appearance in retrosynthetic analysis algorithms underscores computational chemistry’s growing influence on molecular architecture planning. As industries prioritize green chemistry metrics, the development of bromine-free analogues remains an active research area, though 4-Bromobutan-1-amine maintains irreplaceable roles in specific structure-property optimization scenarios.

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