Cas no 1226495-49-3 (1-Boc-3-(N-hydroxycarbamimidoyl)-pyrrolidine)

1-Boc-3-(N-hydroxycarbamimidoyl)-pyrrolidine is a versatile intermediate in organic synthesis, particularly valuable for the preparation of hydroxamic acid derivatives and metal-chelating agents. The Boc (tert-butoxycarbonyl) protecting group enhances its stability and facilitates selective deprotection under mild acidic conditions, making it suitable for multi-step synthetic routes. The N-hydroxycarbamimidoyl moiety serves as a key functional group for constructing pharmacologically active compounds, such as histone deacetylase (HDAC) inhibitors. Its pyrrolidine scaffold contributes to improved solubility and conformational rigidity, beneficial for drug design. This compound is widely used in medicinal chemistry and material science due to its high purity, well-defined reactivity, and compatibility with diverse reaction conditions.
1-Boc-3-(N-hydroxycarbamimidoyl)-pyrrolidine structure
1226495-49-3 structure
Product Name:1-Boc-3-(N-hydroxycarbamimidoyl)-pyrrolidine
CAS No:1226495-49-3
MF:C10H19N3O3
MW:229.276162385941
MDL:MFCD19982674
CID:2103235
PubChem ID:58408470
Update Time:2025-07-02

1-Boc-3-(N-hydroxycarbamimidoyl)-pyrrolidine Chemical and Physical Properties

Names and Identifiers

    • (Z)-tert-butyl 3-(N-hydroxycarbamimidoyl)pyrrolidine-1-carboxylate
    • tert-butyl 3-[(Z)-amino(hydroxyimino)methyl]pyrrolidine-1-carboxylate
    • 1-Boc-3-(N-hydroxycarbamimidoyl)-pyrrolidine
    • tert-butyl 3-[(Z)-N'-hydroxycarbamimidoyl]pyrrolidine-1-carboxylate
    • tert-Butyl 3-(N-hydroxycarbamimidoyl)pyrrolidine-1-carboxylate
    • BZB49549
    • MFCD19982674
    • BS-42123
    • SCHEMBL2281875
    • AKOS040795824
    • tert-Butyl3-(N-hydroxycarbamimidoyl)pyrrolidine-1-carboxylate
    • 1226495-49-3
    • tert-butyl3-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylate
    • CS-0340310
    • tert-butyl 3-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylate
    • 1352661-59-6
    • EN300-133939
    • MDL： MFCD19982674
    • Inchi： 1S/C10H19N3O3/c1-10(2,3)16-9(14)13-5-4-7(6-13)8(11)12-15/h7,15H,4-6H2,1-3H3,(H2,11,12)
    • InChI Key： ICMRUAQEVGWING-UHFFFAOYSA-N
    • SMILES： O(C(C)(C)C)C(N1CCC(/C(=N/O)/N)C1)=O

Computed Properties

  • Exact Mass: 229.14264148g/mol
  • Monoisotopic Mass: 229.14264148g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 296
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.4
  • Topological Polar Surface Area: 88.2?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 381.2±52.0 °C at 760 mmHg
  • Flash Point: 184.3±30.7 °C
  • Vapor Pressure: 0.0±2.0 mmHg at 25°C

1-Boc-3-(N-hydroxycarbamimidoyl)-pyrrolidine Security Information

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abcr
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1-Boc-3-(N-Hydroxycarbamimidoyl)-pyrrolidine; .
 1226495-49-3
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