Cas no 871658-02-5 (2-azabicyclo[2.1.1]hexane;hydrochloride)

2-azabicyclo[2.1.1]hexane;hydrochloride structure
871658-02-5 structure
Product Name:2-azabicyclo[2.1.1]hexane;hydrochloride
CAS No:871658-02-5
MF:C5H10ClN
MW:119.592600345612
MDL:MFCD19160638
CID:1090298
PubChem ID:55219746
Update Time:2024-10-26

2-azabicyclo[2.1.1]hexane;hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 2-Azabicyclo[2.1.1]hexane hydrochloride
    • 3-azabicyclo[2.1.1]hexane,hydrochloride
    • 2-Azabicyclo[2.1.1]hexane HCl
    • ILHPSPUYHFANIX-UHFFFAOYSA-N
    • SB11444
    • OR317269
    • AK142715
    • 2-azabicyclo[2.1.1]hexane hydrochloride salt
    • 2-azabicyclo[2.1.1]hexane;hydrochloride
    • 2-Azabicyclo[2.1.1]hexane, hydrochloride (9CI)
    • AS-33965
    • Z3074473459
    • CS-0052048
    • MFCD19160638
    • SCHEMBL2277077
    • 2-Aza-bicyclo[2.1.1]hexane hcl
    • 2-Azabicyclo[2.1.1]hexanehydrochloride
    • SY098317
    • (1s,4s)-2-azabicyclo[2.1.1]hexane hydrochloride
    • AKOS006239339
    • 871658-02-5
    • DB-192397
    • EN300-1695989
    • EN300-37375121
    • MDL： MFCD19160638
    • Inchi： 1S/C5H9N.ClH/c1-4-2-5(1)6-3-4;/h4-6H,1-3H2;1H
    • InChI Key： ILHPSPUYHFANIX-UHFFFAOYSA-N
    • SMILES： Cl.N1C2CC(C2)C1

Computed Properties

  • Exact Mass: 119.0501770g/mol
  • Monoisotopic Mass: 119.0501770g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 64.3
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 12

2-azabicyclo[2.1.1]hexane;hydrochloride Pricemore >>

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2-azabicyclo[2.1.1]hexane;hydrochloride Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium tert-butoxide Solvents: Tetrahydrofuran ;  overnight, 65 °C
2.1 Reagents: Hydrochloric acid Solvents: Ethanol ;  3 h, rt
Reference
Preparation of 2-Azabicyclo[2.1.1]hexane Hydrochloride
Liao, Haili; et al, Synlett, 2016, 27(15), 2251-2253

Production Method 2

Reaction Conditions
1.1 Reagents: Titanium ethoxide Solvents: Tetrahydrofuran ;  overnight, 65 °C
2.1 Reagents: Diisobutylaluminum hydride Solvents: Tetrahydrofuran ;  2 h, -78 °C; 1 h, -78 °C
2.2 Reagents: Potassium sodium tartrate Solvents: Water
2.3 Reagents: Potassium tert-butoxide Solvents: Tetrahydrofuran ;  overnight, 65 °C
3.1 Reagents: Hydrochloric acid Solvents: Ethanol ;  3 h, rt
Reference
Preparation of 2-Azabicyclo[2.1.1]hexane Hydrochloride
Liao, Haili; et al, Synlett, 2016, 27(15), 2251-2253

Production Method 3

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Ethanol ;  3 h, rt
Reference
Preparation of 2-Azabicyclo[2.1.1]hexane Hydrochloride
Liao, Haili; et al, Synlett, 2016, 27(15), 2251-2253

Production Method 4

Reaction Conditions
1.1 Reagents: Diisobutylaluminum hydride Solvents: Tetrahydrofuran ;  2 h, -78 °C; 1 h, -78 °C
1.2 Reagents: Potassium sodium tartrate Solvents: Water
1.3 Reagents: Potassium tert-butoxide Solvents: Tetrahydrofuran ;  overnight, 65 °C
2.1 Reagents: Hydrochloric acid Solvents: Ethanol ;  3 h, rt
Reference
Preparation of 2-Azabicyclo[2.1.1]hexane Hydrochloride
Liao, Haili; et al, Synlett, 2016, 27(15), 2251-2253

2-azabicyclo[2.1.1]hexane;hydrochloride Raw materials

2-azabicyclo[2.1.1]hexane;hydrochloride Preparation Products

2-azabicyclo[2.1.1]hexane;hydrochloride Related Literature

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