Cas no 1250999-05-3 (tert-Butyl 3,3-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate)

Tert-Butyl 3,3-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate is a fluorinated spirocyclic compound featuring a diazaspiro[4.5]decane core with a Boc-protected amine group. The presence of two fluorine atoms at the 3-position enhances its steric and electronic properties, making it a valuable intermediate in medicinal chemistry and drug discovery. The Boc group offers stability and selective deprotection capabilities, facilitating further functionalization. This compound is particularly useful in the synthesis of bioactive molecules, including protease inhibitors and CNS-targeting agents, due to its rigid spirocyclic scaffold and fluorine-induced metabolic stability. Its high purity and well-defined structure ensure reproducibility in research applications.
tert-Butyl 3,3-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate structure
1250999-05-3 structure
Product Name:tert-Butyl 3,3-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate
CAS No:1250999-05-3
MF:C13H22F2N2O2
MW:276.322790622711
MDL:MFCD17016148
CID:4564765
PubChem ID:115051081
Update Time:2025-11-01

tert-Butyl 3,3-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 3,3-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate
    • 3,3-Difluoro-1,8-Diaza-Spiro[4.5]Decane-8-Carboxylic Acid Tert-Butyl Ester
    • SB44019
    • W13925
    • 8-Boc-3,3-Difluoro-1,8-diazaspiro[4.5]decane
    • 3,3-Difluoro-1,8-diaza-spiro[4.5]decane-8-carboxylic acid t-butyl ester
    • AS-73175
    • AKOS027255214
    • 1250999-05-3
    • tert-Butyl3,3-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate
    • SCHEMBL22409359
    • MFCD17016148
    • CS-0036465
    • MDL: MFCD17016148
    • Inchi: 1S/C13H22F2N2O2/c1-11(2,3)19-10(18)17-6-4-12(5-7-17)8-13(14,15)9-16-12/h16H,4-9H2,1-3H3
    • InChI Key: BJXNZDCTVPSKMJ-UHFFFAOYSA-N
    • SMILES: FC1(CNC2(CCN(C(=O)OC(C)(C)C)CC2)C1)F

Computed Properties

  • Exact Mass: 276.16493427g/mol
  • Monoisotopic Mass: 276.16493427g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 358
  • 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
  • XLogP3: 1.9
  • Topological Polar Surface Area: 41.6

Experimental Properties

  • Boiling Point: 340.7±42.0℃ at 760 mmHg

tert-Butyl 3,3-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate Pricemore >>

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Additional information on tert-Butyl 3,3-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate

Comprehensive Overview of tert-Butyl 3,3-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate (CAS No. 1250999-05-3)

tert-Butyl 3,3-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate (CAS No. 1250999-05-3) is a highly specialized spirocyclic compound that has garnered significant attention in the field of pharmaceutical intermediates and organic synthesis. This compound belongs to the class of diazaspiro derivatives, which are known for their unique structural properties and versatile applications in drug discovery. The presence of difluoro and tert-butyl carboxylate groups enhances its reactivity, making it a valuable building block for medicinal chemistry and bioconjugation.

In recent years, the demand for spirocyclic compounds like tert-Butyl 3,3-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate has surged due to their role in developing targeted therapies and small molecule inhibitors. Researchers are particularly interested in its potential applications in central nervous system (CNS) drug development, as the diazaspiro scaffold is often associated with improved blood-brain barrier penetration. This aligns with the growing focus on neurodegenerative diseases and psychiatric disorders, which are among the most searched topics in pharmaceutical research.

The synthesis of tert-Butyl 3,3-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate involves sophisticated organic transformations, including fluorination and carboxylation steps. Its CAS No. 1250999-05-3 serves as a unique identifier, ensuring precise tracking in chemical databases and regulatory submissions. The compound's stability under various conditions makes it suitable for high-throughput screening and combinatorial chemistry, addressing the need for efficient drug candidate optimization.

From an SEO perspective, queries related to "diazaspiro derivatives," "fluorinated spirocycles," and "tert-butyl carboxylate applications" are trending in scientific literature and patent searches. This reflects the compound's relevance in cutting-edge research, particularly in kinase inhibitor design and GPCR-targeted drugs. Additionally, its spiro[4.5]decane core is frequently discussed in forums focusing on 3D molecular modeling and fragment-based drug discovery.

In conclusion, tert-Butyl 3,3-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate (CAS No. 1250999-05-3) represents a pivotal chemical entity in modern drug development. Its structural complexity and functional groups offer unparalleled opportunities for lead compound refinement and therapeutic innovation. As the pharmaceutical industry continues to explore novel scaffolds, this compound is poised to play a critical role in addressing unmet medical needs.

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