Cas no 867009-61-8 (2-benzyl-2,8-diazaspiro[4.5]decane)

2-Benzyl-2,8-diazaspiro[4.5]decane is a spirocyclic amine derivative with a benzyl substitution at the 2-position, offering a rigid structural framework that enhances its utility in medicinal chemistry and drug discovery. The spiro[4.5]decane core provides conformational restraint, improving binding selectivity and stability in target interactions. Its diaza functionality introduces versatility as a building block for synthesizing pharmacologically active compounds, particularly in the development of CNS-targeting agents and receptor modulators. The benzyl group further allows for derivatization, enabling fine-tuning of physicochemical properties. This compound is valued for its synthetic accessibility and potential as a scaffold in the design of novel bioactive molecules.
2-benzyl-2,8-diazaspiro[4.5]decane structure
867009-61-8 structure
Product Name:2-benzyl-2,8-diazaspiro[4.5]decane
CAS No:867009-61-8
MF:C15H22N2
MW:230.348583698273
MDL:MFCD11109550
CID:828035
PubChem ID:22975675
Update Time:2025-06-11

2-benzyl-2,8-diazaspiro[4.5]decane Chemical and Physical Properties

Names and Identifiers

    • 2-benzyl-2,8-diazaspiro[4.5]decane
    • 2-Benzyl-2,8-diazaspiro[4.5]decane heMioxalate
    • 2-(Phenylmethyl)-2,8-diazaspiro[4.5]decane
    • 2-Benzyl-2,8-diaza-spiro[4.5]decane
    • DTXSID10629281
    • AC-30846
    • BCP27607
    • AS-62059
    • AKOS005145935
    • 2,8-Diazaspiro[4.5]decane, 2-(phenylmethyl)-
    • CS-0000480
    • FT-0764586
    • EN300-119959
    • A15857
    • SB39185
    • 867009-61-8
    • SCHEMBL4589959
    • AM20041268
    • Z1095369088
    • DB-025841
    • MDL: MFCD11109550
    • Inchi: 1S/C15H22N2/c1-2-4-14(5-3-1)12-17-11-8-15(13-17)6-9-16-10-7-15/h1-5,16H,6-13H2
    • InChI Key: XTNWFMYRGJBRAD-UHFFFAOYSA-N
    • SMILES: N1(CC2C=CC=CC=2)CCC2(CCNCC2)C1

Computed Properties

  • Exact Mass: 230.17800
  • Monoisotopic Mass: 230.178
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 239
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 15.3A^2
  • XLogP3: 2.1

Experimental Properties

  • Density: 1.07
  • Boiling Point: 340.8°C at 760 mmHg
  • Flash Point: 134.1°C
  • Refractive Index: 1.583
  • PSA: 15.27000
  • LogP: 2.52880

2-benzyl-2,8-diazaspiro[4.5]decane Security Information

2-benzyl-2,8-diazaspiro[4.5]decane Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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2-benzyl-2,8-diazaspiro[4.5]decane Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:867009-61-8)2-(苯基甲基)-2,8-二氮雜螺[4.5]癸烷
Order Number:LE26931579
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 13:00
Price ($):discuss personally

Additional information on 2-benzyl-2,8-diazaspiro[4.5]decane

Comprehensive Overview of 2-Benzyl-2,8-diazaspiro[4.5]decane (CAS No. 867009-61-8): Properties, Applications, and Research Insights

The compound 2-benzyl-2,8-diazaspiro[4.5]decane (CAS No. 867009-61-8) is a structurally unique spirocyclic amine derivative that has garnered significant attention in pharmaceutical and chemical research. Its molecular framework combines a diazaspiro[4.5]decane core with a benzyl substituent, offering versatile reactivity and potential bioactivity. This article delves into its properties, synthetic routes, and emerging applications while addressing trending queries like "spirocyclic compounds in drug discovery" and "benzylamine derivatives in medicinal chemistry."

From a structural perspective, 2-benzyl-2,8-diazaspiro[4.5]decane features a spiro junction that confers rigidity to its molecular architecture—a trait highly sought after in fragment-based drug design. Researchers have explored its role as a scaffold for kinase inhibitors and GPCR modulators, aligning with the growing demand for 3D-rich fragments in hit-to-lead optimization. The benzyl group further enhances lipophilicity, making it a candidate for CNS-penetrant molecules, a hot topic in neurodegenerative disease research.

Synthetic methodologies for CAS No. 867009-61-8 often involve reductive amination or ring-closing strategies, with recent studies highlighting photocatalyzed spirocyclization as a green chemistry alternative. These advances resonate with industry shifts toward sustainable synthesis, a frequently searched term in AI-driven retrosynthesis tools. Analytical characterization via LC-MS and NMR confirms its high purity, critical for high-throughput screening (HTS) libraries.

Beyond pharmaceuticals, 2-benzyl-2,8-diazaspiro[4.5]decane has niche applications in agrochemicals and material science. Its spirocyclic motif improves metabolic stability—a key concern in crop protection agent development. Meanwhile, its potential in supramolecular chemistry (e.g., as a ligand for metal-organic frameworks) taps into the buzz around smart materials.

Safety and regulatory profiles of this compound are rigorously documented. While not classified as hazardous, proper PPE usage during handling is advised, per OSHA guidelines—a detail often queried by laboratory safety databases. Storage recommendations emphasize anhydrous conditions to preserve stability, addressing common concerns about amine degradation.

In summary, 2-benzyl-2,8-diazaspiro[4.5]decane exemplifies the intersection of structural innovation and practical utility. Its relevance to AI-aided molecular design and green chemistry positions it as a compound of enduring scientific interest, with ongoing studies likely to expand its applications further.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:867009-61-8)2-(苯基甲基)-2,8-二氮雜螺[4.5]癸烷
LE26931579
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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