Cas no 158602-36-9 (Tert-butyl 3-(2-iodoethyl)azetidine-1-carboxylate)

Tert-butyl 3-(2-iodoethyl)azetidine-1-carboxylate is a versatile intermediate in organic synthesis, particularly valued for its azetidine scaffold and reactive iodoethyl moiety. The tert-butyloxycarbonyl (Boc) protecting group enhances stability and facilitates selective deprotection under mild acidic conditions, making it suitable for stepwise functionalization. The iodoethyl side chain offers a handle for further derivatization via nucleophilic substitution or cross-coupling reactions, enabling the construction of complex heterocycles or pharmacophores. This compound is commonly employed in medicinal chemistry and materials science due to its balanced reactivity and compatibility with diverse reaction conditions. Its crystalline form ensures consistent purity and handling precision in laboratory applications.
Tert-butyl 3-(2-iodoethyl)azetidine-1-carboxylate structure
158602-36-9 structure
Product Name:Tert-butyl 3-(2-iodoethyl)azetidine-1-carboxylate
CAS No:158602-36-9
MF:C10H18INO2
MW:311.159895420074
MDL:MFCD20126205
CID:1337391
PubChem ID:19034125
Update Time:2025-06-07

Tert-butyl 3-(2-iodoethyl)azetidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1-Azetidinecarboxylic acid, 3-(2-iodoethyl)-, 1,1-dimethylethyl ester
    • 1-Boc-3-(1-iodoethyl)azetidine
    • 1-BOC-3-(IODOETHYL)AZETIDINE
    • tert-butyl 3-(2-iodoethyl)azetidine-1-carboxylate
    • 1-Boc-3-(iodoethyl)azetid...
    • N-BOC-Azetidin-3-ylethyl iodide
    • OGFCVYKPYPPCDL-UHFFFAOYSA-N
    • PB21026
    • FCH1363191
    • AM100301
    • AK170329
    • OR317172
    • 158602-36-9
    • MFCD20126205
    • 1-Boc-3-(2-iodoethyl)azetidine
    • A883414
    • TERT-BUTYL3-(2-IODOETHYL)AZETIDINE-1-CARBOXYLATE
    • DTXSID40597580
    • AKOS025290700
    • DA-09789
    • CS-0048390
    • AS-33518
    • SY027409
    • N-Boc-3-(2-iodoethyl)azetidine
    • SCHEMBL7259854
    • Tert-butyl 3-(2-iodoethyl)azetidine-1-carboxylate
    • MDL: MFCD20126205
    • Inchi: 1S/C10H18INO2/c1-10(2,3)14-9(13)12-6-8(7-12)4-5-11/h8H,4-7H2,1-3H3
    • InChI Key: OGFCVYKPYPPCDL-UHFFFAOYSA-N
    • SMILES: ICCC1CN(C(=O)OC(C)(C)C)C1

Computed Properties

  • Exact Mass: 311.03784
  • Monoisotopic Mass: 311.03823g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 207
  • 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
  • Topological Polar Surface Area: 29.5
  • XLogP3: 2.8

Experimental Properties

  • PSA: 29.54

Tert-butyl 3-(2-iodoethyl)azetidine-1-carboxylate Pricemore >>

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