Cas no 518063-52-0 (tert-Butyl 3-fluoropyrrolidine-1-carboxylate)

Technical Introduction: tert-Butyl 3-fluoropyrrolidine-1-carboxylate is a fluorinated heterocyclic building block widely used in pharmaceutical and agrochemical synthesis. The tert-butyloxycarbonyl (Boc) protecting group enhances stability and facilitates selective deprotection under mild acidic conditions, making it valuable in multi-step synthetic routes. The fluorine substitution at the 3-position introduces electronic and steric effects, influencing reactivity and bioavailability in target molecules. This compound is particularly useful in the development of bioactive compounds, including enzyme inhibitors and receptor modulators. Its high purity and well-defined structure ensure reproducibility in research and industrial applications. Proper handling under inert conditions is recommended to maintain integrity.
tert-Butyl 3-fluoropyrrolidine-1-carboxylate structure
518063-52-0 structure
Product Name:tert-Butyl 3-fluoropyrrolidine-1-carboxylate
CAS No:518063-52-0
MF:C9H16FNO2
MW:189.227246284485
MDL:MFCD17013093
CID:1091908
PubChem ID:25000885
Update Time:2025-10-17

tert-Butyl 3-fluoropyrrolidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 3-fluoropyrrolidine-1-carboxylate
    • 1-Boc-3-fluoropyrrolidine
    • 3-Fluoro-1-pyrrolidinecarboxylic acid tert-butyl ester
    • DB-071421
    • SY021376
    • F1907-0034
    • SUECTKVSIDXQQE-UHFFFAOYSA-N
    • AM100902
    • DTXSID90648399
    • CS-0079094
    • TERT-BUTYL3-FLUOROPYRROLIDINE-1-CARBOXYLATE
    • SCHEMBL1733236
    • 3-fluoropyrrolidine-1-carboxylic acid tert-butyl ester
    • MFCD04114065
    • A26399
    • AKOS022186405
    • N-tert-Butoxycarbonyl-3-fluoropyrrolidine
    • 518063-52-0
    • EN300-225568
    • SY018066
    • DB-070888
    • SB45083
    • MFCD04114064
    • G30616
    • 3-Fluoro-pyrrolidine-1-carboxylic acid tert-butyl ester
    • (R)-tert-butyl 3-fluoropyrrolidine-1-carboxylate
    • MDL： MFCD17013093
    • Inchi： 1S/C9H16FNO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3
    • InChI Key： SUECTKVSIDXQQE-UHFFFAOYSA-N
    • SMILES： FC1CN(C(=O)OC(C)(C)C)CC1

Computed Properties

  • Exact Mass: 189.11650692g/mol
  • Monoisotopic Mass: 189.11650692g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 200
  • 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
  • XLogP3: 1.7
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • Density: 1.08
  • Boiling Point: 230 oC
  • Flash Point: 93 oC

tert-Butyl 3-fluoropyrrolidine-1-carboxylate Pricemore >>

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Enamine
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Enamine
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