Cas no 171906-65-3 (tert-butyl N-{3-azabicyclo[3.2.0]heptan-1-yl}carbamate)

Tert-butyl N-{3-azabicyclo[3.2.0]heptan-1-yl}carbamate is a bicyclic carbamate derivative featuring a rigid azabicyclo[3.2.0]heptane scaffold. This compound serves as a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals and bioactive molecules. Its tert-butyloxycarbonyl (Boc) protecting group enhances stability, facilitating selective deprotection under mild acidic conditions. The strained bicyclic structure imparts unique steric and electronic properties, making it useful for constructing complex heterocyclic frameworks. The compound is typically employed in peptide coupling reactions and as a precursor for nitrogen-containing heterocycles. Its high purity and well-defined reactivity profile ensure consistent performance in synthetic applications.
tert-butyl N-{3-azabicyclo[3.2.0]heptan-1-yl}carbamate structure
171906-65-3 structure
Product Name:tert-butyl N-{3-azabicyclo[3.2.0]heptan-1-yl}carbamate
CAS No:171906-65-3
MF:C11H20N2O2
MW:212.288702964783
MDL:MFCD12755313
CID:111428
PubChem ID:15859786
Update Time:2025-08-02

tert-butyl N-{3-azabicyclo[3.2.0]heptan-1-yl}carbamate Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid,3-azabicyclo[3.2.0]hept-1-yl-, 1,1-dimethylethyl ester (9CI)
    • tert-Butyl 3-azabicyclo[3.2.0]heptan-1-ylcarbamate
    • tert-butyl N-{3-azabicyclo[3.2.0]heptan-1-yl}carbamate
    • 1-(t-butoxycarbonylamino)-3-azabicyclo[3.2.0]heptane
    • 171906-65-3
    • D72952
    • tert-Butyl (3-azabicyclo[3.2.0]heptan-1-yl)carbamate
    • tert-Butyl3-azabicyclo[3.2.0]heptan-1-ylcarbamate
    • SCHEMBL7517321
    • tert-butyl N-(3-azabicyclo[3.2.0]heptan-1-yl)carbamate
    • Carbamic acid, 3-azabicyclo[3.2.0]hept-1-yl-, 1,1-dimethylethyl ester (9CI)
    • SY324194
    • CS-0058420
    • MFCD12755313
    • rac-tert-butyl N-[(1R,5S)-3-azabicyclo[3.2.0]heptan-1-yl]carbamate
    • PS-20591
    • Carbamic acid,3-azabicyclo[3.2.0]hept-1-yl-,1,1-dimethylethyl ester(9ci)
    • 1-(Boc-amino)-3-azabicyclo[3.2.0]heptane
    • WATXNHHBICSVMQ-UHFFFAOYSA-N
    • MDL: MFCD12755313
    • Inchi: 1S/C11H20N2O2/c1-10(2,3)15-9(14)13-11-5-4-8(11)6-12-7-11/h8,12H,4-7H2,1-3H3,(H,13,14)
    • InChI Key: WATXNHHBICSVMQ-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(NC12CNCC1CC2)=O

Computed Properties

  • Exact Mass: 212.1526
  • Monoisotopic Mass: 212.152477885g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 272
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.9
  • Topological Polar Surface Area: 50.4?2

Experimental Properties

  • PSA: 50.36

tert-butyl N-{3-azabicyclo[3.2.0]heptan-1-yl}carbamate Pricemore >>

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