Cas no 1408076-20-9 (tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]-N-methyl-carbamate)

Tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]-N-methyl-carbamate is a fluorinated azetidine derivative with significant utility in medicinal chemistry and pharmaceutical research. The incorporation of a fluoro substituent on the azetidine ring enhances its metabolic stability and bioavailability, making it a valuable intermediate for drug discovery. The tert-butyl carbamate (Boc) protecting group ensures selective reactivity, facilitating further functionalization under controlled conditions. This compound’s rigid azetidine scaffold contributes to improved binding affinity in target interactions, particularly in CNS-targeted therapeutics. Its synthetic versatility allows for efficient derivatization, supporting the development of novel bioactive molecules. Suitable for use in peptide modifications and small-molecule optimization, it offers researchers a high-purity building block for advanced chemical synthesis.
tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]-N-methyl-carbamate structure
1408076-20-9 structure
Product Name:tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]-N-methyl-carbamate
CAS No:1408076-20-9
MF:C10H19FN2O2
MW:218.268466234207
CID:4594910
PubChem ID:72208192
Update Time:2025-06-07

tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]-N-methyl-carbamate Chemical and Physical Properties

Names and Identifiers

    • (3-Fluoro-azetidin-3-ylmethyl)-methyl-carbamic acid tert-butyl ester
    • tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]-N-methylcarbamate
    • tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]-N-methyl-carbamate
    • PB38778
    • SB20694
    • DTXSID001130216
    • 1408076-20-9
    • tert-butyl (3-fluoroazetidin-3-yl)methyl(methyl)carbamate
    • CS-0057555
    • P13545
    • (3-Fluoroazetidin-3-ylmethyl)-methylcarbamic acid tert-butyl ester
    • (3-Fluoro-azetidin-3-ylmethyl)-methyl-carbamicacidtert-butylester
    • Carbamic acid, N-[(3-fluoro-3-azetidinyl)methyl]-N-methyl-, 1,1-dimethylethyl ester
    • Inchi: 1S/C10H19FN2O2/c1-9(2,3)15-8(14)13(4)7-10(11)5-12-6-10/h12H,5-7H2,1-4H3
    • InChI Key: CDNSKNMBEBUTRW-UHFFFAOYSA-N
    • SMILES: C(OC(C)(C)C)(=O)N(CC1(F)CNC1)C

Computed Properties

  • Exact Mass: 218.14305602g/mol
  • Monoisotopic Mass: 218.14305602g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 246
  • 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: 0.7
  • Topological Polar Surface Area: 41.6?2

tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]-N-methyl-carbamate Pricemore >>

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