3-CYANO-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- Product Name
- 3-CYANO-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- CAS No.
- 914988-10-6
- Chemical Name
- 3-CYANO-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- Synonyms
- TERT-BUTYL 3-CYANO-4-OXOPIPERIDINE-1-CARBOXYLATE;tert-butyl 4-cyano-3-oxopiperidine-1-carboxylate;Tert-butyl 3-cyano-4-oxo-1-piperidinecarboxylate;N-BOC-3-cyano-4-piperidone;N-BOC-3-cyano-4-oxopiperidine;1-BOC-3-cyano-4-oxopiperidine;1-Boc-4-oxopiperidine-3-carbonitrile;1,1-Dimethylethyl 3-cyano-4-oxo-1-piperidinecarboxylate;3-cyano-4-oxo-1-piperidinecarboxylic acid tert-butyl ester;3-CYANO-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- CBNumber
- CB82455956
- Molecular Formula
- C11H16N2O3
- Formula Weight
- 224.26
- MOL File
- 914988-10-6.mol
3-CYANO-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Property
- Melting point:
- 97-99 °C
- Boiling point:
- 375.1±42.0 °C(Predicted)
- Density
- 1.15±0.1 g/cm3(Predicted)
- storage temp.
- 2-8°C
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- -3.72±0.40(Predicted)
- color
- Pale Yellow
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H226Flammable liquid and vapour
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233Keep container tightly closed.
P240Ground/bond container and receiving equipment.
P241Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242Use only non-sparking tools.
P243Take precautionary measures against static discharge.
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
P370+P378In case of fire: Use … for extinction.
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P403+P235Store in a well-ventilated place. Keep cool.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- C955865
- Product name
- 3-Cyano-4-oxo-piperidine-1-carboxylicAcidtert-ButylEster
- Packaging
- 25mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- C955865
- Product name
- 3-Cyano-4-oxo-piperidine-1-carboxylicAcidtert-ButylEster
- Packaging
- 100mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- FC153957
- Product name
- 3-Cyano-4-oxo-piperidine-1-carboxylic acid tert-butyl ester
- Packaging
- 250mg
- Price
- $65
- Updated
- 2021/12/16
- Product number
- FC153957
- Product name
- 3-Cyano-4-oxo-piperidine-1-carboxylic acid tert-butyl ester
- Packaging
- 500mg
- Price
- $100
- Updated
- 2021/12/16
- Product number
- 072632
- Product name
- 3-Cyano-4-oxo-piperidine-1-carboxylicacid tert-butyl ester
- Purity
- 95+%
- Packaging
- 1g
- Price
- $51
- Updated
- 2021/12/16
3-CYANO-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Chemical Properties,Usage,Production
Uses
3-Cyano-4-oxo-piperidine-1-carboxylic Acid tert-Butyl Ester is a useful research reagent for organic synthesis and other chemical processes.
Synthesis
266353-22-4
914988-10-6
The general procedure for the synthesis of N-Boc-cyano-piperidin-4-one from ethyl 3-((tert-butoxycarbonyl)(2-cyanoethyl)amino)propionate was as follows: ethyl 3-((tert-butoxycarbonyl)(2-cyanoethyl)amino)propionate (17.3 g, 64.0 mmol) was dissolved in 200 mL of toluene and 60% sodium hydride (3.84 g, 96.0 mmol). The reaction mixture was heated to reflux and maintained for 3 hours. Upon completion of the reaction, it was cooled to room temperature, diluted with 200 mL of water, and the pH was subsequently adjusted to 3 with 1 N hydrochloric acid solution.The aqueous phase was extracted with ethyl acetate (200 mL x 3). The organic phases were combined, dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The residue was purified by silica gel column chromatography with ethyl acetate/petroleum ether as eluent to afford 7.8 g (51.6% yield) of tert-butyl 3-cyano-4-oxopiperidine-1-carboxylate as a white solid.1H NMR (400 MHz, DMSO-d6) δ 10.87 (s, 1H), 3.89 (s, 2H), 3.46 (t, J=5.8Hz. 2H), 2.28 (t, J=5.8Hz, 2H).
References
[1] Journal of Medicinal Chemistry, 2017, vol. 60, # 22, p. 9162 - 9183
[2] Patent: US2015/5277, 2015, A1. Location in patent: Paragraph 0208; 0209
[3] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 17, p. 5195 - 5198
[4] Molecules, 2011, vol. 16, # 3, p. 2626 - 2635
[5] Patent: WO2016/86200, 2016, A1. Location in patent: Page/Page column 139; 140; 519; 520
3-CYANO-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Preparation Products And Raw materials
Raw materials
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View Lastest Price from 3-CYANO-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER manufacturers
- Product
- tert-butyl 3-cyano-4-oxopiperidine-1-carboxylate 914988-10-6
- Price
- US $5.90-3.90/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2025-06-13