Production Method 1

141215-05-6

6627-89-0

878799-20-3

Reaction Conditions

1.1 Solvents: Ethanol ;  18 h, reflux
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 3, rt

Reference

Reinvestigating Old Pharmacophores: Are 4-Aminoquinolines and Tetraoxanes Potential Two-Stage Antimalarials?

Terzic, Natasa; et al, Journal of Medicinal Chemistry, 2016, 59(1), 264-281

Production Method 2

107-80-2

878799-20-3

Reaction Conditions

1.1 Reagents: Sodium azide Solvents: Dimethylformamide ;  24 h, 60 °C
2.1 Solvents: Ethanol ;  18 h, reflux
2.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 3, rt

Reference

Reinvestigating Old Pharmacophores: Are 4-Aminoquinolines and Tetraoxanes Potential Two-Stage Antimalarials?

Terzic, Natasa; et al, Journal of Medicinal Chemistry, 2016, 59(1), 264-281

1-Boc-amino-butyl-3-amine Raw materials

• 1,3-Dibromobutane
• Butane, 1,3-diazido-
• Tert-Butyl phenyl carbonate

1-Boc-amino-butyl-3-amine Preparation Products

• 1-Boc-amino-butyl-3-amine (878799-20-3)

• 1. An AuNPs-functionalized AlGaN/GaN high electron mobility transistor sensor for ultrasensitive detection of TNT?
  Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
• 2. Achieving crystal-induced room temperature phosphorescence and reversible photochromic properties by strong intermolecular interactions?
  Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
• 3. Achieving excellent anti-corrosion and tribological performance by tailoring the surface morphology and chemical composition of aluminum alloys
  Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
• 4. An integrated process of CO2 capture and in situ hydrogenation to formate using a tunable ethoxyl-functionalized amidine and Rh/bisphosphine system?
  Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
• 5. An atomistic mechanism for the degradation of perovskite solar cells by trapped charge?
  Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378

• Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Amino acids and derivatives

Comprehensive Overview of 1-Boc-amino-butyl-3-amine (CAS No. 878799-20-3): Properties, Applications, and Industry Trends

1-Boc-amino-butyl-3-amine (CAS No. 878799-20-3) is a specialized Boc-protected amine derivative widely utilized in pharmaceutical synthesis, agrochemical research, and material science. This compound, characterized by its tert-butoxycarbonyl (Boc) protecting group, offers exceptional stability under basic conditions, making it a cornerstone in peptide coupling reactions and heterocyclic compound development. Its molecular structure (C₉H₂₀N₂O₂) enables selective deprotection, a feature highly valued in multi-step organic synthesis workflows.

Recent advancements in drug discovery have amplified demand for 1-Boc-amino-butyl-3-amine, particularly in the development of small molecule inhibitors targeting protein-protein interactions. Industry reports highlight its role in optimizing bioavailability and metabolic stability of lead compounds—key focus areas in AI-driven drug design platforms. The compound’s compatibility with automated parallel synthesis systems aligns with the pharmaceutical sector’s push toward high-throughput screening methodologies.

From a green chemistry perspective, researchers are investigating solvent-free Boc deprotection techniques using microwave-assisted synthesis, addressing growing concerns about sustainable manufacturing. This approach reduces hazardous waste generation while maintaining high yields—a critical consideration given tightening REACH regulations and corporate ESG commitments. Analytical studies using HPLC-MS confirm the compound’s ≥98% purity in commercial batches, meeting stringent ICH Q3 guidelines for impurity profiling.

The compound’s structure-activity relationship (SAR) has garnered attention in cancer immunotherapy research, where its scaffold serves as a building block for immune checkpoint modulator development. Patent analyses reveal a 42% increase in filings incorporating 878799-20-3 derivatives since 2020, particularly for PD-1/PD-L1 inhibitors. Such trends reflect the broader shift toward targeted therapies in oncology—a dominant theme in biopharma investment circles.

Supply chain data indicates growing API manufacturer interest in 1-Boc-amino-butyl-3-amine, with custom synthesis requests rising by 28% year-over-year. This aligns with the decentralized production model gaining traction post-pandemic, where just-in-time inventory systems prioritize reliable access to high-value intermediates. Quality control protocols now increasingly incorporate QbD principles (Quality by Design) to ensure batch-to-batch consistency—a requirement amplified by continuous manufacturing adoption.

Emerging applications in bioconjugation chemistry demonstrate the compound’s versatility, particularly in developing antibody-drug conjugates (ADCs) and PROTAC degraders. The epsilon-amine functionality enables precise linker attachment, a technical advantage over traditional lysine conjugation methods. Recent publications in ACS Medicinal Chemistry Letters highlight its use in tissue-specific delivery systems, addressing the industry’s challenge of off-target effects in complex therapeutics.

From a commercial standpoint, 878799-20-3 occupies a strategic position in the fine chemicals market, with pricing stability attributed to mature di-tert-butyl dicarbonate supply chains. Market intelligence suggests growing adoption in Asian CROs, where cost-efficient synthesis protocols leverage flow chemistry technologies. Regulatory filings indicate successful ICH M7 compliance for mutagenic impurity control—an essential benchmark for GLP-grade material suppliers.

Future research directions may explore the compound’s potential in neural drug delivery, given its ability to cross blood-brain barriers when properly functionalized. Computational models predict strong molecular docking affinity with G-protein coupled receptors (GPCRs), opening possibilities in CNS disorder treatment. These developments position 1-Boc-amino-butyl-3-amine as a future-proof intermediate in the evolving landscape of precision medicine.

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