6H-Pyrrolo[3,4-b]pyridine-6-carboxylic acid, octahydro-, 1,1-diMethylethyl ester
- Product Name
- 6H-Pyrrolo[3,4-b]pyridine-6-carboxylic acid, octahydro-, 1,1-diMethylethyl ester
- CAS No.
- 186203-81-6
- Chemical Name
- 6H-Pyrrolo[3,4-b]pyridine-6-carboxylic acid, octahydro-, 1,1-diMethylethyl ester
- Synonyms
- 6-Boc-octahydropyrrolo[3,4-b]pyridine;6-Boc-6H-octahydro-pyrrolo[3,4-b]pyridine;(1H-tetrazol-5-yl)MethanaMine hydrochloride;6H-Pyrrolo[3,4-b]pyridine-6-carboxylic acid;tert-butyl octahydro-6H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl octahydro-1H-pyrrolo[3,4-b]pyridine-6-carboxylate;6H-Pyrrolo[3,4-b]pyridine-6-carboxylic acid, octahydro-,1,1-...;tert-Butyl hexahydro-1H-pyrrolo[3,4-b]pyridine-6(2H)-carboxylate;tert-butyl (4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridine-6-carboxylate;Octahydro-6H-pyrrolo[3,4-b]pyridine-6-carboxylic acid 1,1-dimethylethyl ester
- CBNumber
- CB52639405
- Molecular Formula
- C12H22N2O2
- Formula Weight
- 226.32
- MOL File
- 186203-81-6.mol
6H-Pyrrolo[3,4-b]pyridine-6-carboxylic acid, octahydro-, 1,1-diMethylethyl ester Property
- Boiling point:
- 313.8±15.0 °C(Predicted)
- Density
- 1.052±0.06 g/cm3(Predicted)
- storage temp.
- 2-8°C(protect from light)
- pka
- 10.85±0.20(Predicted)
- Appearance
- yellow solid
Safety
- RIDADR
- UN3077
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- warning
- Hazard statements
-
H302Harmful if swallowed
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P271Use only outdoors or in a well-ventilated area.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P312Call a POISON CENTER or doctor/physician if you feel unwell.
P330Rinse mouth.
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- B704368
- Product name
- tert-Butylhexahydro-1H-pyrrolo[3,4-b]pyridine-6(2H)-carboxylate
- Packaging
- 50mg
- Price
- $130
- Updated
- 2021/12/16
- Product number
- 8224DT
- Product name
- Tert-Butylhexahydro-1H-pyrrolo[3,4-b]pyridine-6(2H)-carboxylate
- Packaging
- 250mg
- Price
- $262
- Updated
- 2021/12/16
- Product number
- CHM0394283
- Product name
- TERT-BUTYL HEXAHYDRO-1H-PYRROLO[3,4-B]PYRIDINE-6(2H)-CARBOXYLATE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $502.4
- Updated
- 2021/12/16
- Product number
- 8224DT
- Product name
- Tert-Butylhexahydro-1H-pyrrolo[3,4-b]pyridine-6(2H)-carboxylate
- Packaging
- 1g
- Price
- $600
- Updated
- 2021/12/16
- Product number
- 122519
- Product name
- 6-Boc-6H-octahydro-pyrrolo[3,4-b]pyridine
- Purity
- 97.0%
- Packaging
- 1g
- Price
- $1304
- Updated
- 2021/12/16
6H-Pyrrolo[3,4-b]pyridine-6-carboxylic acid, octahydro-, 1,1-diMethylethyl ester Chemical Properties,Usage,Production
Synthesis
1059172-92-7
186203-81-6
The general procedure for the synthesis of tert-butyl hexahydro-1H-pyrrolo[3,4-b]pyridine-6(2H)-carboxylate from tert-butyl 5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6(2H)-carboxylate is as follows: tert-butyl 5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-carboxylate (1.50 g) was dissolved in ethylene glycol monomethyl ether and a catalytic amount of 10% Pd/C. The reaction suspension was heated to 70 °C and stirred under hydrogen atmosphere for 6 hours. Upon completion of the reaction, the mixture was cooled to room temperature, poured into 100 mL of water and extracted with dichloromethane (50 mL x 3). The organic phases were combined, dried with anhydrous sodium sulfate and filtered. The filtrate was concentrated in vacuum to afford tert-butyl hexahydro-1H-pyrrolo[3,4-b]pyridine-6(2H)-carboxylate as a light yellow oil (0.95 g, 65.00% yield). The crude product was used directly in the subsequent reaction without further purification. The structure of the compound was confirmed by the following spectral data: mass spectrum (ESI, positive ion mode) m/z: 227.2 ([M+H]+).
References
[1] Patent: US2014/228361, 2014, A1. Location in patent: Paragraph 0494-0495
[2] Patent: WO2013/71697, 2013, A1. Location in patent: Paragraph 00318
6H-Pyrrolo[3,4-b]pyridine-6-carboxylic acid, octahydro-, 1,1-diMethylethyl ester Preparation Products And Raw materials
Raw materials
Preparation Products
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