tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate
- Product Name
- tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate
- CAS No.
- 637301-19-0
- Chemical Name
- tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate
- Synonyms
- 3-Boc-8-oxo-3-Azabicyclo[...;3-Boc-3-azabicyclo[3.2.1]octan-8-one;3-Boc-8-oxo-3-Azabicyclo[3.2.1]octane;tert-Butyl 8-oxo-3-azabicyclo[3.2.1]octan-3-carboxylate;tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate;1,1-Dimethylethyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate;8-Oxo-3-aza-bicyclo[3.2.1]octane-3-carboxylic acid tert-butyl ester;3-Azabicyclo[3.2.1]octane-3-carboxylic acid, 8-oxo-, 1,1-dimethylethyl ester
- CBNumber
- CB52537482
- Molecular Formula
- C12H19NO3
- Formula Weight
- 225.28
- MOL File
- 637301-19-0.mol
tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate Property
- Boiling point:
- 325.8±35.0 °C(Predicted)
- Density
- 1.139±0.06 g/cm3(Predicted)
- storage temp.
- 2-8°C
- pka
- -1.58±0.20(Predicted)
- Appearance
- White to yellow Solid
Safety
- HS Code
- 2933998090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P321Specific treatment (see … on this label).
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
N-Bromosuccinimide Price
- Product number
- B815088
- Product name
- tert-Butyl8-Oxo-3-azabicyclo[3.2.1]octane-3-carboxylate
- Packaging
- 10mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- FB57605
- Product name
- 3-Boc-8-oxo-3-azabicyclo[3.2.1]octane
- Packaging
- 10mg
- Price
- $65
- Updated
- 2021/12/16
- Product number
- FB57605
- Product name
- 3-Boc-8-oxo-3-azabicyclo[3.2.1]octane
- Packaging
- 25mg
- Price
- $125
- Updated
- 2021/12/16
- Product number
- 4H56-1-022
- Product name
- 3-Boc-8-oxo-3-azabicyclo[3.2.1]octane
- Packaging
- 250mg
- Price
- $175
- Updated
- 2021/12/16
- Product number
- OR301348
- Product name
- tert-Butyl8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate
- Purity
- 95%
- Packaging
- 250mg
- Price
- $195
- Updated
- 2021/12/16
tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate Chemical Properties,Usage,Production
Uses
Tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate is utilized as a key intermediate in the synthesis of various pharmaceuticals and bioactive compounds. Its unique structure and reactivity allow for the development of new drug candidates with potential therapeutic applications.
Synthesis
24424-99-5
83507-33-9
637301-19-0
Di-tert-butyl dicarbonate (5.81 g, 26.6 mmol) and 3-benzyl-3-azabicyclo[3.2.1]octan-8-one (5.0 g, 22.0 mmol) were used as raw materials in ethyl acetate (74 mL) with Pearlman's catalyst (1.55 g, 23.2 mmol). The reaction system was stirred overnight at 25 °C under 100 psi hydrogen pressure after passing through three nitrogen substitutions and two hydrogen substitutions. After completion of the reaction, the mixture was filtered through a diatomaceous earth pad and washed with ethyl acetate. The filtrate was concentrated and purified by silica gel column chromatography (elution gradient: heptane/ethyl acetate, 0:100 to 100:0) to afford 3-Boc-3-azabicyclo[3.2.1]octan-8-one (4.49 g, 90% yield) as a solid. The product was analyzed by LC/MS showing [M-Me] = 211.1; 1H NMR (400 MHz, CDCl3) δ 4.38 (d, J = 14.0 Hz, 1H), 4.20 (d, J = 14.0 Hz, 1H), 3.27 (d, J = 13.3 Hz, 1H), 3.17 (d, J = 13.3 Hz, 1H), 2.24 ( d, J = 15.6 Hz, 2H), 1.76-1.99 (m, 4H), 1.49 (s, 9H).
References
[1] Patent: WO2016/120849, 2016, A1. Location in patent: Page/Page column 63
[2] Patent: WO2012/169649, 2012, A1. Location in patent: Page/Page column 207; 208
tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate Preparation Products And Raw materials
Raw materials
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View Lastest Price from tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate manufacturers
- Product
- tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate 637301-19-0
- Price
- US $3.00/KG
- Min. Order
- 1KG
- Purity
- 99%min
- Supply Ability
- 300kg
- Release date
- 2020-03-06