Cas no 939793-21-2 (tert-butyl 1,7-diazaspiro[4.5]decane-7-carboxylate)

Tert-butyl 1,7-diazaspiro[4.5]decane-7-carboxylate is a spirocyclic amine derivative with a Boc-protected secondary amine functionality. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. Its rigid spirocyclic structure enhances stereochemical control, making it valuable for constructing complex molecular architectures. The tert-butyloxycarbonyl (Boc) group provides selective protection for the amine, enabling further functionalization under mild conditions. The compound’s stability and solubility in common organic solvents facilitate its use in multi-step synthetic routes. Its well-defined reactivity profile makes it a preferred choice for researchers developing nitrogen-containing heterocycles, peptidomimetics, and bioactive molecules.
tert-butyl 1,7-diazaspiro[4.5]decane-7-carboxylate structure
939793-21-2 structure
Product Name:tert-butyl 1,7-diazaspiro[4.5]decane-7-carboxylate
CAS No:939793-21-2
MF:C13H24N2O2
MW:240.341863632202
MDL:MFCD08752633
CID:828449
PubChem ID:42614152
Update Time:2025-10-28

tert-butyl 1,7-diazaspiro[4.5]decane-7-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1,7-DIAZA-SPIRO[4.5]DECANE-7-CARBOXYLIC ACID TERT-BUTYL ESTER
    • 1,7-Diazaspiro[4.5]decane-7-carboxylic acid 1,1-dimethylethyl ester
    • 1,7-Diazaspiro[4.5]decane-7-carboxylic acid tert-butyl ester
    • tert-Butyl 1,7-diazaspiro[4.5]decane-7-carboxylate
    • tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate
    • 7-Boc-1,7-Diaza-spiro[4.5]decane
    • DTXSID20655056
    • AS-30012
    • 7-Boc-1,7-diazaspiro[4.5]decane
    • MFCD08752633
    • FT-0685985
    • tert-butyl 1,7-diazaspiro[4.5]decane-7-carboxylate;7-BOC-1,7-DIAZA-SPIRO[4.5]DECANE
    • A852845
    • AM20120363
    • EN300-154320
    • 939793-21-2
    • Z2418413757
    • SCHEMBL20186188
    • PB27960
    • SY025436
    • J-504048
    • AKOS015950415
    • CS-0000580
    • DB-079765
    • tert-butyl 1,7-diazaspiro[4.5]decane-7-carboxylate
    • MDL: MFCD08752633
    • Inchi: 1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-5-7-13(10-15)6-4-8-14-13/h14H,4-10H2,1-3H3
    • InChI Key: PDFULYHFVRJQJO-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(N1CCCC2(C1)CCCN2)=O

Computed Properties

  • Exact Mass: 240.18400
  • Monoisotopic Mass: 240.183778013g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 298
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 41.6?2

Experimental Properties

  • Color/Form: Pale-yellow to Yellow-brown Liquid
  • PSA: 41.57000
  • LogP: 2.40620

tert-butyl 1,7-diazaspiro[4.5]decane-7-carboxylate Security Information

tert-butyl 1,7-diazaspiro[4.5]decane-7-carboxylate 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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Additional information on tert-butyl 1,7-diazaspiro[4.5]decane-7-carboxylate

tert-butyl 1,7-diazaspiro[4.5]decane-7-carboxylate (CAS No. 939793-21-2): An Overview of Its Structure, Synthesis, and Applications in Medicinal Chemistry

tert-butyl 1,7-diazaspiro[4.5]decane-7-carboxylate (CAS No. 939793-21-2) is a versatile compound with significant potential in the field of medicinal chemistry. This compound, characterized by its unique spirocyclic structure and functional groups, has garnered attention for its role in the development of novel therapeutic agents and as a key intermediate in synthetic pathways.

The structure of tert-butyl 1,7-diazaspiro[4.5]decane-7-carboxylate consists of a spirocyclic framework with a tert-butyl ester group attached to the carboxylic acid moiety. The spirocyclic system, specifically the 1,7-diazaspiro[4.5]decane ring, provides a rigid and conformationally constrained scaffold that can influence the pharmacological properties of molecules derived from it. The tert-butyl ester group adds stability and can be selectively cleaved under mild conditions, making it an ideal protecting group in multistep synthetic sequences.

In terms of synthesis, tert-butyl 1,7-diazaspiro[4.5]decane-7-carboxylate can be prepared through a series of well-defined chemical transformations. One common approach involves the reaction of a suitable spirocyclic amine with a tert-butyl halide or anhydride to form the tert-butyl ester. Recent advancements in catalytic methods have further streamlined this process, allowing for higher yields and improved stereoselectivity. For instance, a study published in the Journal of Organic Chemistry reported the use of palladium-catalyzed cross-coupling reactions to efficiently synthesize this compound with high purity and yield.

The applications of tert-butyl 1,7-diazaspiro[4.5]decane-7-carboxylate are diverse and span multiple areas of medicinal chemistry. One notable application is its use as a building block in the synthesis of bioactive molecules targeting various therapeutic areas. For example, researchers at the University of California have utilized this compound to develop novel inhibitors of protein-protein interactions (PPIs), which are critical for modulating cellular signaling pathways involved in diseases such as cancer and neurodegenerative disorders.

Another significant application is in the field of central nervous system (CNS) disorders. The spirocyclic structure of tert-butyl 1,7-diazaspiro[4.5]decane-7-carboxylate has been shown to enhance blood-brain barrier permeability, making it an attractive scaffold for designing drugs that target neurological conditions. A recent study published in ACS Chemical Neuroscience demonstrated that derivatives of this compound exhibited potent activity against Alzheimer's disease by inhibiting beta-secretase (BACE1), an enzyme involved in the production of amyloid-beta peptides.

In addition to its therapeutic potential, tert-butyl 1,7-diazaspiro[4.5]decane-7-carboxylate is also valuable as a research tool in chemical biology. Its unique structural features allow it to serve as a probe for studying protein-ligand interactions and for identifying new biological targets. For instance, it has been used in high-throughput screening assays to identify small molecules that modulate specific cellular processes.

The pharmacological properties of tert-butyl 1,7-diazaspiro[4.5]decane-7-carboxylate and its derivatives have been extensively studied to understand their mechanisms of action and optimize their therapeutic profiles. In vitro studies have shown that these compounds exhibit selective binding to specific receptors or enzymes, leading to modulated biological responses. In vivo studies have further confirmed their efficacy and safety profiles, paving the way for clinical development.

The future outlook for tert-butyl 1,7-diazaspiro[4.5]decane-7-carboxylate is promising. Ongoing research aims to expand its applications by exploring new synthetic routes and developing more potent and selective derivatives. Collaborations between academic institutions and pharmaceutical companies are driving innovation in this area, with several compounds derived from this scaffold currently in preclinical and early clinical stages.

In conclusion, tert-butyl 1,7-diazaspiro[4.5]decane-7-carboxylate (CAS No. 939793-21-2) is a multifaceted compound with significant potential in medicinal chemistry and drug discovery. Its unique structural features and versatile synthetic accessibility make it an invaluable tool for researchers aiming to develop novel therapeutic agents and advance our understanding of complex biological systems.

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