ChemicalBook--->CAS DataBase List--->904316-92-3

904316-92-3

904316-92-3 Structure

904316-92-3 Structure
IdentificationBack Directory
[Name]

3-OXA-8-AZABICYCLO[3.2.1]OCTANE, HYDROCHLORIDE (1:1)
[CAS]

904316-92-3
[Synonyms]

8-oxa-3-aza-bicyclo
3-Oxa-8-aza-bicyclo[3.2.1]octane
3-Oxa-8-aza-bicyclo[3.2.1]octane HCl
3-oxa-8-azabicyclo[3.2.1]octane hydrochloride
3-O×a-8-azabicyclo[3.2.1]octane hydrochloride
3-OXA-8-AZABICYCLO[3.2.1]OCTANE, HYDROCHLORIDE (1:1)
(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octane hydrochloride
[EINECS(EC#)]

815-661-8
[Molecular Formula]

C6H11NO.ClH
[MDL Number]

MFCD11865200
[MOL File]

904316-92-3.mol
[Molecular Weight]

149.62
Questions And AnswerBack Directory
[Synthesis]

Using readily available and inexpensive adipic acid (1) as the starting material, 3-OXA-8-AZABICYCLO[3.2.1]OCTANE, HYDROCHLORIDE (1:1) was synthesized through eight steps: acyl chloride, bromination, benzylamine cyclization, hydrolysis, reduction, dehydration cyclization, hydrodebenzylation, and salt formation. The synthetic route is shown below.

Synthesis of 904316-92-3

Figure 1 Synthetic route of 3-OXA-8-AZABICYCLO[3.2.1]OCTANE, HYDROCHLORIDE (1:1)

Chemical PropertiesBack Directory
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

solid
[color ]

Off-white
[InChI]

InChI=1S/C6H11NO.ClH/c1-2-6-4-8-3-5(1)7-6;/h5-7H,1-4H2;1H
[InChIKey]

QCOHPFLNQAVPJE-UHFFFAOYSA-N
[SMILES]

C12COCC(CC1)N2.Cl
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2934999090
Hazard InformationBack Directory
[Uses]

3-Oxa-8-azabicyclo[3.2.1]octane is used for the development of PI3K inhibitors.
Spectrum DetailBack Directory
[Spectrum Detail]

3-OXA-8-AZABICYCLO[3.2.1]OCTANE, HYDROCHLORIDE (1:1)(904316-92-3)1HNMR
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