Basic information
- CAS
149771-43-7- Standard SMILES
CC(C)(C)OC(=O)N1C2CCC1CN(Cc1ccccc1)C2- InChIKey
IOPMFGUNMBWHIS-UHFFFAOYSA-N- Molecular formula
- C18H26N2O2
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.19942808
Names & identifiers
- Preferred name
- Tert-butyl 3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
- IUPAC
- tert-butyl 3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
- English name
- tert-Butyl 3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
- Molecular formula
- C18H26N2O2
- Molecular weight
- 302.41
Names & synonyms
149771-43-7TERT-BUTYL 3-BENZYL-3,8-DIAZABICYCLO[3.2.1]OCTANE-8-CARBOXYLATEMFCD244656403,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 3-(phenylMethyl)-, 1,1-diMethylethyl esterDTXSID005777673-Benzyl-8-Boc-3,8-diaza-bicyclo[3.2.1]octaneSB33778CS-01547778-Boc-3-benzyl-3,8-diazabicyclo[3.2.1]octanetert-butyl 3-benzyl-3,8-diazabicyclo[3.2.1] octane-8-carboxylateTERT-BUTYL3-BENZYL-3,8-DIAZABICYCLO[3.2.1]OCTANE-8-CARBOXYLATEIOPMFGUNMBWHIS-UHFFFAOYSA-N
Show more names
3-benzyl-3,8-diazabiscyclo[3.2.1]octylalkane-8-carboxylic acidtertbutyl ester
SCHEMBL3538916TERT-BUTYL 3-BENZYL-33-benzyl-8-(tert-butoxycarbonyl)-3,8-diazabicyclo[3.2.1]-octaneAKOS027252177DS-10238SY254126DB-365964F474011
Database identifiers
- CAS
149771-43-7
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 384
Physicochemical properties
- Boiling point
- 393.4 · 393.4±35.0 °C(Predicted)
- Density
- 1.117 · 1.117±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.57 · 8.57±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3-Benzyl-8-(tert-butoxycarbonyl)-3,8-diazabicyclo[3.2.1]-octane is a hydrocarbon derivative that can be used as a pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Related reactions
3 records
Compound notes
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