tert-butyl octahydropyrrolo[3.4-b]pyridine-1-carboxylate
- Product Name
- tert-butyl octahydropyrrolo[3.4-b]pyridine-1-carboxylate
- CAS No.
- 159991-07-8
- Chemical Name
- tert-butyl octahydropyrrolo[3.4-b]pyridine-1-carboxylate
- Synonyms
- (4aS,7aS);(4aS,7aS)-1-Boc-octahydro-1H-pyrrolo[3,4-b]pyridine;tert-butyl octahydropyrrolo[3.4-b]pyridine-1-carboxylate;(S,S)-2-tert-butoxycarbonyl-2,8-diazabicyclo[4.3.0]nonane;(4aS,7aS)-tert-Butyl octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate;Tert-butyl (4as,7as)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylate;1H-Pyrrolo[3,4-b]pyridine-1-carboxylic acid, octahydro-, 1,1-dimethylethyl ester, (4aS,7aS)-
- CBNumber
- CB42537399
- Molecular Formula
- C12H22N2O2
- Formula Weight
- 226.32
- MOL File
- 159991-07-8.mol
tert-butyl octahydropyrrolo[3.4-b]pyridine-1-carboxylate Property
- Boiling point:
- 313.8±15.0 °C(Predicted)
- Density
- 1.052±0.06 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 10.66±0.20(Predicted)
- Appearance
- White to light yellow Solid
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
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).
P330Rinse mouth.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- FB141906
- Product name
- (4aS,7aS)-tert-Butyl octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate
- Packaging
- 100mg
- Price
- $162
- Updated
- 2021/12/16
- Product number
- CCH0032656
- Product name
- (4AS,7AS)-TERT-BUTYL OCTAHYDRO-1H-PYRROLO[3,4-B]PYRIDINE-1-CARBOXYLATE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $504.54
- Updated
- 2021/12/16
- Product number
- CCH0032656
- Product name
- (4AS,7AS)-TERT-BUTYL OCTAHYDRO-1H-PYRROLO[3,4-B]PYRIDINE-1-CARBOXYLATE
- Purity
- 95.00%
- Packaging
- 1G
- Price
- $1315.65
- Updated
- 2021/12/16
- Product number
- 8060AA
- Product name
- (4aS,7aS)-tert-Butyloctahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate
- Packaging
- 5g
- Price
- $2299
- Updated
- 2021/12/16
- Product number
- CM149234
- Product name
- tert-butyl(4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate
- Purity
- 95%
- Packaging
- 5g
- Price
- $1578
- Updated
- 2021/12/16
tert-butyl octahydropyrrolo[3.4-b]pyridine-1-carboxylate Chemical Properties,Usage,Production
Synthesis
159991-06-7
159991-07-8
The general procedure for the synthesis of tert-butyl (4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate from the compound (CAS: 159991-06-7) is as follows: Scheme 9: Preparation of [1S,6S]-2- tert-butoxycarbonyl-2,8-diazabicyclo[4,3,0]nonane 1. [1S,6S]-8-benzyl-2-tert-butoxycarbonyl-2,8-diazabicyclo[4,3,0]nonane (target product of embodiment 5, 5.0 g, 15.8 mmol) was dissolved in methanol (50 mL). 2. 10% Pd/C (1.0 g) was added as a catalyst at 3 atm and the hydrogenation reaction was carried out for 10 hours. 3. After completion of the reaction, the catalyst was removed by filtration. 4. 4. The filtrate was concentrated and the product was solidified by the addition of petroleum ether. 5. 5. Filtering and drying the obtained filter cake gave [1S,6S]-2- tert-butoxycarbonyl-2,8-diazabicyclo[4,3,0]nonane (3.1 g, 86.8% yield). Product Characterization: - Specific optical rotation:[α]20D = -70.2° (c = 4). - 1H NMR (CDCl3) δ: 1.45 (9H, s), 1.66-1.70 (2H, m), 2.03-2.11 (2H, m), 2.72-2.88 (2H, m), 3.11-3.78 (5H, m), 3.92-3.97 (1H, m), 4.53-4.55 (1H, m). - Mass Spectrometry (MS): m/z 227 (M++1).
References
[1] Patent: EP1767536, 2007, A1. Location in patent: Page/Page column 10
[2] Patent: US5654318, 1997, A
[3] Patent: WO2010/39947, 2010, A1. Location in patent: Page/Page column 88
[4] Patent: US2011/230459, 2011, A1. Location in patent: Page/Page column 18
tert-butyl octahydropyrrolo[3.4-b]pyridine-1-carboxylate Preparation Products And Raw materials
Raw materials
Preparation Products
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