Cas no 1373502-92-1 (Tert-butyl 5-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate)

Tert-butyl 5-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate is a versatile intermediate in organic synthesis, particularly valuable in pharmaceutical and agrochemical applications. Its structure features a Boc-protected amine and a difluorinated piperidine ring, offering enhanced stability and reactivity for further functionalization. The presence of the aminomethyl group allows for selective derivatization, while the difluorination improves metabolic stability and lipophilicity, beneficial in drug design. The tert-butyloxycarbonyl (Boc) group provides convenient deprotection under mild acidic conditions, facilitating downstream modifications. This compound is particularly useful in the synthesis of bioactive molecules, where precise control over stereochemistry and functional group compatibility is critical. Its well-defined purity and stability make it a reliable choice for research and industrial-scale applications.
Tert-butyl 5-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate structure
1373502-92-1 structure
Product Name:Tert-butyl 5-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate
CAS No:1373502-92-1
MF:C11H20F2N2O2
MW:250.285510063171
MDL:MFCD21602018
CID:2772121
PubChem ID:68309267
Update Time:2025-06-14

Tert-butyl 5-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • TERT-BUTYL 5-(AMINOMETHYL)-3,3-DIFLUOROPIPERIDINE-1-CARBOXYLATE
    • SB12531
    • tert-butyl5-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate
    • 2380942-98-1
    • tert-butyl (5R)-5-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate
    • 1373502-92-1
    • SCHEMBL12524864
    • DTXSID10738221
    • AS-39115
    • AKOS027251609
    • DB-222015
    • MFCD21602018
    • PZRLKSYZJHAEEK-UHFFFAOYSA-N
    • tert-butyl 3,3-difluoro-5-(aminomethyl)piperidine-1-carboxylate
    • Tert-butyl 5-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate
    • MDL： MFCD21602018
    • Inchi： 1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-6-8(5-14)4-11(12,13)7-15/h8H,4-7,14H2,1-3H3
    • InChI Key： PZRLKSYZJHAEEK-UHFFFAOYSA-N
    • SMILES： FC1(CN(C(=O)OC(C)(C)C)CC(CN)C1)F

Computed Properties

  • Exact Mass: 250.14928421 g/mol
  • Monoisotopic Mass: 250.14928421 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 290
  • 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
  • Molecular Weight: 250.29
  • XLogP3: 1.2
  • Topological Polar Surface Area: 55.6

Tert-butyl 5-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate Pricemore >>

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Tert-butyl 5-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate Related Literature

Additional information on Tert-butyl 5-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate

Comprehensive Overview of Tert-butyl 5-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate (CAS No. 1373502-92-1)

Tert-butyl 5-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate (CAS No. 1373502-92-1) is a fluorinated piperidine derivative widely utilized in pharmaceutical and agrochemical research. This compound features a unique difluoropiperidine core, which enhances its metabolic stability and bioavailability, making it a valuable intermediate in drug discovery. The presence of the tert-butyl group and aminomethyl moiety further expands its applicability in synthesizing bioactive molecules targeting neurological and inflammatory pathways.

In recent years, the demand for fluorinated building blocks like Tert-butyl 5-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate has surged due to their role in optimizing drug candidates. Researchers frequently search for "difluoropiperidine synthesis" or "tert-Boc-protected aminomethyl piperidines," reflecting the compound's relevance in medicinal chemistry. Its CAS No. 1373502-92-1 is often queried in databases to verify purity and sourcing, underscoring its importance in high-throughput screening.

The compound's 3,3-difluoropiperidine scaffold is particularly notable for its ability to modulate lipophilicity and hydrogen bonding, critical factors in CNS drug design. Discussions around "fluorine in drug design" and "piperidine derivatives for neurological disorders" align with its applications. Additionally, its tert-butyloxycarbonyl (Boc) protecting group ensures stability during multi-step syntheses, a feature highly sought after in peptide coupling and fragment-based drug discovery.

From an industrial perspective, Tert-butyl 5-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate is synthesized via selective fluorination and Boc protection, with protocols often shared under keywords like "Boc-aminomethyl piperidine preparation." Environmental and regulatory trends also drive interest in "green chemistry approaches for fluorinated intermediates," where this compound serves as a case study for sustainable halogenation techniques.

In summary, Tert-butyl 5-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate (CAS No. 1373502-92-1) bridges cutting-edge research and industrial applications, addressing key challenges in modern organic synthesis. Its versatility and alignment with trending topics like "fluorine medicinal chemistry" and "protected amine reagents" ensure its continued prominence in scientific literature and patent filings.

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