Cas no 119102-24-8 (ethyl 1-azabicyclo[2.2.1]heptane-4-carboxylate)

Ethyl 1-azabicyclo[2.2.1]heptane-4-carboxylate is a bicyclic heterocyclic compound featuring a rigid azabicyclic scaffold with an ester functional group. Its unique structure makes it a valuable intermediate in organic synthesis, particularly for the development of pharmaceuticals and bioactive molecules. The bicyclic framework imparts steric constraints that can enhance selectivity in chemical reactions, while the ester group offers versatility for further derivatization. This compound is often employed in the synthesis of chiral building blocks and ligands due to its stereochemical properties. Its stability and well-defined reactivity profile make it suitable for applications in medicinal chemistry and asymmetric catalysis.
ethyl 1-azabicyclo[2.2.1]heptane-4-carboxylate structure
119102-24-8 structure
Product Name:ethyl 1-azabicyclo[2.2.1]heptane-4-carboxylate
CAS No:119102-24-8
MF:C9H15NO2
MW:169.220902681351
CID:132070
PubChem ID:15663604
Update Time:2025-06-10

ethyl 1-azabicyclo[2.2.1]heptane-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1-Azabicyclo[2.2.1]heptane-4-carboxylic acid, ethyl ester
    • ETHYL 1-AZABICYCLO[2.2.1]HEPTANE-4-CARBOXYLATE
    • Ethyl 1-azabicyclo[2.2.1]hept-4-yl-carboxylate
    • ethyl 1-azabicyclo<2.2.1>heptane-4-carboxylate
    • Ethyl 1-azabicyclo[2.2.1]heptane-4-carboxylate hydrobromide
    • F89234
    • MB06037
    • CPHZSWAWMNOQJI-UHFFFAOYSA-N
    • SCHEMBL592258
    • 1-azabicyclo[2.2.1]heptane-4-carboxylic acid ethyl ester
    • Ethyl 1-azabicyclo[2.2.1]hept-4-ylcarboxylate
    • ethyl 1-azabicyclo[2.2.1 ]heptane-4-carboxylate
    • CS-0442131
    • AKOS006286964
    • Ethyl1-azabicyclo[2.2.1]heptane-4-carboxylate
    • Ethyl-1-azabicyclo[2.2.1]hept-4-ylcarboxylate
    • DTXSID10576504
    • 119102-24-8
    • DB-084603
    • ethyl 1-azabicyclo[2.2.1]heptane-4-carboxylate
    • Inchi： 1S/C9H15NO2/c1-2-12-8(11)9-3-5-10(7-9)6-4-9/h2-7H2,1H3
    • InChI Key： CPHZSWAWMNOQJI-UHFFFAOYSA-N
    • SMILES： O(CC)C(C12CCN(CC1)C2)=O

Computed Properties

  • Exact Mass: 169.11000
  • Monoisotopic Mass: 169.110278721g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 195
  • 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: 0.6
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • Density: 1.12±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 211.4±23.0 oC (760 Torr),
  • Flash Point: 79.1±13.5 oC,
  • Solubility: Dissolution (56 g/l) (25 o C),
  • PSA: 29.54000
  • LogP: 0.58320
  • Vapor Pressure: 0.2±0.4 mmHg at 25°C

ethyl 1-azabicyclo[2.2.1]heptane-4-carboxylate Security Information

ethyl 1-azabicyclo[2.2.1]heptane-4-carboxylate Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

ethyl 1-azabicyclo[2.2.1]heptane-4-carboxylate Pricemore >>

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