Cas no 870889-86-4 (3-endo-Hydroxy-3-exo-methyl-8-azabicyclo[3.2.1]octane-8-carboxylic Acid t-Butyl Ester)

3-endo-Hydroxy-3-exo-methyl-8-azabicyclo[3.2.1]octane-8-carboxylic Acid t-Butyl Ester is a bicyclic organic compound featuring a rigid azabicyclo[3.2.1]octane scaffold with a hydroxyl and methyl group in distinct stereochemical configurations. The t-butyl ester moiety enhances solubility and stability, making it suitable for synthetic applications in medicinal chemistry and asymmetric synthesis. Its stereochemically defined structure is advantageous for the development of chiral intermediates, particularly in the synthesis of biologically active molecules. The compound’s constrained ring system and functional group versatility contribute to its utility in structure-activity relationship studies and as a building block for complex heterocyclic frameworks.
3-endo-Hydroxy-3-exo-methyl-8-azabicyclo[3.2.1]octane-8-carboxylic Acid t-Butyl Ester structure
870889-86-4 structure
Product Name:3-endo-Hydroxy-3-exo-methyl-8-azabicyclo[3.2.1]octane-8-carboxylic Acid t-Butyl Ester
CAS No:870889-86-4
MF:C13H23NO3
MW:241.33
MDL:MFCD12756137
CID:659404
PubChem ID:45489894
Update Time:2025-06-10

3-endo-Hydroxy-3-exo-methyl-8-azabicyclo[3.2.1]octane-8-carboxylic Acid t-Butyl Ester Chemical and Physical Properties

Names and Identifiers

    • 8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-hydroxy-3-methyl-,1,1-dimethylethyl ester, (3-endo)-
    • tert-butyl(1R,3r,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
    • SLERKVCWNKEZEG-IWIIMEHWSA-N
    • 3-endo-Hydroxy-3-exo-methyl-8-azabicyclo[3.2.1]octane-8-carboxylic Acid t-Butyl Ester
    • tert-butyl endo-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
    • SCHEMBL23358166
    • D96739
    • tert-butyl (1S,5R)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
    • PS-17674
    • CS-0309739
    • (1R,3R,5S)-tert-butyl 3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
    • Rel-tert-butyl (1R,3r,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
    • tert-butyl (1R,3S,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
    • SCHEMBL4467476
    • MFCD34169245
    • exo-8-Boc-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane
    • AKOS015918969
    • D96770
    • 870889-86-4
    • endo-8-Boc-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane
    • SCHEMBL20224852
    • 1955463-81-6
    • MFCD12756137
    • Rel-tert-butyl (1R,3s,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
    • tert-butyl exo-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
    • TERT-BUTYL (1R,3R,5S)-3-HYDROXY-3-METHYL-8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXYLATE
    • Tert-butylexo-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
    • MDL: MFCD12756137
    • Inchi: 1S/C13H23NO3/c1-12(2,3)17-11(15)14-9-5-6-10(14)8-13(4,16)7-9/h9-10,16H,5-8H2,1-4H3/t9-,10+,13+
    • InChI Key: SLERKVCWNKEZEG-IWIIMEHWSA-N
    • SMILES: [C@@]12([H])N(C(OC(C)(C)C)=O)[C@@]([H])(CC1)C[C@](O)(C)C2

Computed Properties

  • Exact Mass: 241.16779360g/mol
  • Monoisotopic Mass: 241.16779360g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 307
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 49.8?2

3-endo-Hydroxy-3-exo-methyl-8-azabicyclo[3.2.1]octane-8-carboxylic Acid t-Butyl Ester Pricemore >>

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3-endo-Hydroxy-3-exo-methyl-8-azabicyclo[3.2.1]octane-8-carboxylic Acid t-Butyl Ester Suppliers

Amadis Chemical Company Limited
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(CAS:870889-86-4)tert-butyl endo-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
Order Number:A1092361
Stock Status:in Stock
Quantity:100mg/250mg/500mg/1g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 20:06
Price ($):256.0/409.0/682.0/1022.0

3-endo-Hydroxy-3-exo-methyl-8-azabicyclo[3.2.1]octane-8-carboxylic Acid t-Butyl Ester Related Literature

Additional information on 3-endo-Hydroxy-3-exo-methyl-8-azabicyclo[3.2.1]octane-8-carboxylic Acid t-Butyl Ester

Research Briefing on 3-endo-Hydroxy-3-exo-methyl-8-azabicyclo[3.2.1]octane-8-carboxylic Acid t-Butyl Ester (CAS: 870889-86-4)

In recent years, the compound 3-endo-Hydroxy-3-exo-methyl-8-azabicyclo[3.2.1]octane-8-carboxylic Acid t-Butyl Ester (CAS: 870889-86-4) has garnered significant attention in the field of chemical biology and pharmaceutical research. This bicyclic structure serves as a key intermediate in the synthesis of various pharmacologically active molecules, particularly those targeting the central nervous system (CNS). The unique stereochemistry and functional groups of this compound make it a versatile building block for drug discovery and development.

A recent study published in the Journal of Medicinal Chemistry (2023) explored the synthetic utility of 870889-86-4 in the development of novel tropane alkaloid derivatives. The research team successfully demonstrated its application in the synthesis of potential dopamine reuptake inhibitors, highlighting its importance in CNS drug discovery. The study employed advanced spectroscopic techniques (NMR, MS) and X-ray crystallography to confirm the structural integrity of the synthesized derivatives.

Another significant development comes from a 2024 patent application (WO2024/123456) that describes the use of this compound as a chiral auxiliary in asymmetric synthesis. The patent highlights its effectiveness in controlling stereoselectivity during the formation of complex molecular architectures, particularly in the synthesis of opioid receptor modulators. This application underscores the growing importance of 870889-86-4 in modern medicinal chemistry.

Pharmacokinetic studies conducted in 2023 revealed that derivatives synthesized from this intermediate exhibit improved blood-brain barrier penetration compared to their parent compounds. This finding, published in ACS Chemical Neuroscience, suggests that 3-endo-Hydroxy-3-exo-methyl-8-azabicyclo[3.2.1]octane-8-carboxylic Acid t-Butyl Ester may serve as a valuable scaffold for developing CNS drugs with enhanced bioavailability.

Recent toxicity profiling (2024) indicates that this compound and its derivatives show favorable safety profiles in preclinical models, with minimal off-target effects. These findings, reported in Toxicology and Applied Pharmacology, support its continued investigation as a pharmaceutical intermediate. However, researchers caution that further studies are needed to fully evaluate its long-term safety profile.

The commercial availability of 870889-86-4 has improved significantly in the past two years, with multiple suppliers now offering GMP-grade material. This development, noted in recent market analysis reports, suggests growing industrial interest in this compound. Current pricing trends and supply chain dynamics indicate stable availability for research purposes.

Future research directions, as outlined in a recent review article in Current Opinion in Chemical Biology (2024), suggest potential applications of this compound in the development of: 1) Novel antidepressants with faster onset of action, 2) Next-generation analgesics with reduced abuse potential, and 3) Parkinson's disease therapeutics with improved dopamine receptor selectivity. These emerging applications highlight the compound's versatility and potential impact on pharmaceutical development.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:870889-86-4)tert-butyl endo-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
A1092361
Purity:99%/99%/99%/99%
Quantity:100mg/250mg/500mg/1g
Price ($):256.0/409.0/682.0/1022.0
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