8-Azabicyclo[3.2.1]octan-3-one Hydrochloride

Base Information

• Chemical Name: 8-Azabicyclo[3.2.1]octan-3-one Hydrochloride
• CAS No.: 25602-68-0
• Molecular Formula: C7H12ClNO
• Molecular Weight: 161.631
• Hs Code.: 29339900
• European Community (EC) Number: 800-095-6
• DSSTox Substance ID: DTXSID10948469
• Mol file: 25602-68-0.mol

Synonyms:25602-68-0;Nortropinone Hydrochloride;8-Azabicyclo[3.2.1]octan-3-one Hydrochloride;8-Azabicyclo[3.2.1]octan-3-one HCl;8-azabicyclo[3.2.1]octan-3-one;hydrochloride;Nortropinone (hydrochloride);8-aza-bicyclo[3.2.1]octan-3-one hydrochloride;Nortropinone HCl;NortropinoneHydrochloride;(1R,5S)-8-azabicyclo[3.2.1]octan-3-one hydrochloride;3-Nortropanone Hydrochloride;MFCD03613582;8-Azabicyclo[3.2.1]octan-3-one, hydrochloride;SCHEMBL162138;DTXSID10948469;MZQWQFWRSDNBPV-UHFFFAOYSA-N;CS-M0611;AC-657;MFCD14279165;AKOS006240027;PB18614;DS-13380;HY-76030;PD065482;SY004653;AM20090310;FT-0650134;N0844;8-azabicyclo[3,2,1]octan-3-one hydrochloride;EN300-156140;8-Azabicyclo[3.2.1]octane-3-one hydrochloride;A817926;3-oxo-8-azabicyclo[3.2.1]octane hydrochloride salt;8-aza-bicyclo[3.2.1]octan-3-one hydrochloric acid;8-azabicyclo[3.2.1]octan-3-one hydrochloride salt;W-206962;3-oxo-8-azabicyclo[3.2.1] octane hydrochloride salt;8-aza-bicyclo [3.2.1]octan-3-one hydrochloric acid;8-Azabicyclo[3.2.1]octan-3-one, hydrochloride salt;F8881-1238;8-Azabicyclo[3.2.1]octan-3-one--hydrogen chloride (1/1)

Chemical Property of 8-Azabicyclo[3.2.1]octan-3-one Hydrochloride

Chemical Property:

• Appearance/Colour: white to off-white solid
• Vapor Pressure: 0.0106mmHg at 25°C
• Melting Point: >180°C (dec.)
• Boiling Point: 258.8 °C at 760 mmHg
• Flash Point: 110.3 °C
• PSA: 29.10000
• LogP: 1.60070
• Storage Temp.: -20°C Freezer
• Sensitive.: Hygroscopic
• Solubility.: Chloroform, Dichloromethane, Methanol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 161.0607417
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

Nortropinone hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CC(=O)CC1N2.Cl
• Uses: Nortropinone hydrochloride is a metabolite of Tropinone. It is also used as an inhibitor in reactions that involve 11 beta-hydroxysteroid dehydrogenase type 1 enzyme. It plays an important role in the process of drug discovery, as it is an excellent linker component or building block and is useful in exploring a vast range of therapeutics and drugs.

Technology Process of 8-Azabicyclo[3.2.1]octan-3-one Hydrochloride

There total 5 articles about 8-Azabicyclo[3.2.1]octan-3-one Hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

Boc-tropinone (185099-67-6) → 3-oxo-8-azabicyclo[3.2.1]octane hydrochloride (25602-68-0)

Guidance literature:

With hydrogenchloride; In methanol; at 30 ℃; for 5.5h;

Reference yield: 88.0%

→ 3-oxo-8-azabicyclo[3.2.1]octane hydrochloride (25602-68-0)

Guidance literature:

In methanol;

Reference yield: 43.0%

tropinone (532-24-1) → 3-oxo-8-azabicyclo[3.2.1]octane hydrochloride (25602-68-0)

Guidance literature:

tropinone; With carbonochloridic acid 1-chloro-ethyl ester; In 1,2-dichloro-ethane; at 20 ℃;

With methanol; at 20 ℃; for 1h;

upstream raw materials:

tropinone

carbonochloridic acid 1-chloro-ethyl ester

1-chloroethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate

Boc-tropinone

Downstream raw materials:

5-phenyl-5,6,7,8,9,10-hexahydro-7,10-iminocyclohept[b]indole

Boc-tropinone

tert‐butyl 3‐(trifluoromethanesulfonyloxy)‐8‐azabicyclo[3.2.1]oct‐2‐ene‐8‐carboxylate

benzyl 3-oxo-8-azabicyclo[3,2,1]octane-8-carboxylate