TERT-BUTYL 4-CYANO-4-(PYRIDIN-2-YL)PIPERIDINE-1-CARBOXYLATE
- Product Name
- TERT-BUTYL 4-CYANO-4-(PYRIDIN-2-YL)PIPERIDINE-1-CARBOXYLATE
- CAS No.
- 167263-04-9
- Chemical Name
- TERT-BUTYL 4-CYANO-4-(PYRIDIN-2-YL)PIPERIDINE-1-CARBOXYLATE
- Synonyms
- tert-Butyl 4-cyano-4-(pyridin-2-yl);1-Boc-4-cyano-4-(2-pyridinyl)-piperidine;TERT-BUTYL 4-CYANO-4-(PYRIDIN-2-YL)PIPERIDINE-1-CARBOXYLATE;1,1-Dimethylethyl 4-cyano-4-(2-pyridinyl)-1-piperidinecarboxylate;1-Piperidinecarboxylic acid, 4-cyano-4-(2-pyridinyl)-, 1,1-diMethylethyl ester
- CBNumber
- CB82458326
- Molecular Formula
- C16H21N3O2
- Formula Weight
- 287.36
- MOL File
- 167263-04-9.mol
TERT-BUTYL 4-CYANO-4-(PYRIDIN-2-YL)PIPERIDINE-1-CARBOXYLATE Property
- Boiling point:
- 444.6±45.0 °C(Predicted)
- Density
- 1.15±0.1 g/cm3(Predicted)
- storage temp.
- 2-8°C
- pka
- 5.43±0.19(Predicted)
- InChI
- InChI=1S/C16H21N3O2/c1-15(2,3)21-14(20)19-10-7-16(12-17,8-11-19)13-6-4-5-9-18-13/h4-6,9H,7-8,10-11H2,1-3H3
- InChIKey
- OUILGYJQVAMETA-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(C#N)(C2=NC=CC=C2)CC1
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
-
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.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P312Call a POISON CENTER or doctor/physician if you feel unwell.
P321Specific treatment (see … on this label).
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- 8519AA
- Product name
- Benzyl(2-((2-amino-4-methoxyphenyl)(phenyl)amino)-2-oxoethyl)carbamate
- Packaging
- 100mg
- Price
- $169
- Updated
- 2021/12/16
- Product number
- 8519AA
- Product name
- Benzyl(2-((2-amino-4-methoxyphenyl)(phenyl)amino)-2-oxoethyl)carbamate
- Packaging
- 250mg
- Price
- $239
- Updated
- 2021/12/16
- Product number
- CHM0391854
- Product name
- BENZYL-(2-((2-AMINO-4-METHOXYPHENYL)(PHENYL)AMINO)-2-OXOETHYL)CARBAMATE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $496.52
- Updated
- 2021/12/16
- Product number
- 126995
- Product name
- tert-Butyl4-cyano-4-(pyridin-2-yl)piperidine-1-carboxylate
- Purity
- >97%
- Packaging
- 1g
- Price
- $630
- Updated
- 2021/12/16
- Product number
- A484839
- Product name
- tert-Butyl4-cyano-4-(pyridin-2-yl)piperidine-1-carboxylate
- Purity
- 96%
- Packaging
- 5g
- Price
- $792
- Updated
- 2021/12/16
TERT-BUTYL 4-CYANO-4-(PYRIDIN-2-YL)PIPERIDINE-1-CARBOXYLATE Chemical Properties,Usage,Production
Synthesis
2739-97-1
118753-70-1
167263-04-9
Sodium hydride (60% dispersed in mineral oil, 2.04 g, 51 mmol) was added in batches to a stirred solution of 2-pyridineacetonitrile (1.8 mL, 17 mmol) and tert-butyl N,N-bis(2-chloroethyl)carbamate (in appropriate amounts) in anhydrous DMF (50 mL) under nitrogen protection, and the temperature of the reaction was maintained at 0°C. The reaction was carried out in a controlled manner. The addition process was controlled to be completed within 8 min. Subsequently, the reaction system was warmed up to 60 °C and the reaction was continuously stirred for 5.5 hours. After completion of the reaction, the mixture was cooled to room temperature, extracted with ethyl acetate (4 x 150 mL), the organic phases were combined and washed with water (3 x 200 mL). The organic layer was dried over anhydrous magnesium sulfate, filtered, and the filtrate was concentrated under reduced pressure to give a red to black oily crude product. The crude product was adsorbed on silica gel and purified by column chromatography with the eluent being an isohexane solution of 20% ethyl acetate to give tert-butyl 4-cyano-4-(pyridin-2-yl)piperidine-1-carboxylate as an orange solid (2.13 g, 44% yield). The structure of the product was confirmed by 1H NMR (360 MHz, CDCl3): δ 1.48 (9H, s), 2.04-2.08 (2H, m), 2.17-2.25 (2H, m), 3.15-3.28 (2H, m), 4.20-4.35 (2H, m), 7.25-7.29 (1H, m), 7.61 (1H, d, J = 8 Hz), 7.73-7.78 (1H, m), 8.61 (1H, dd, J = 0.7, 3.9 Hz). The mass spectrum (MS) showed [M+H]+ m/z = 287 (corresponding to the loss of the tert-butyl fragment, -56).
References
[1] Patent: WO2005/51390, 2005, A1. Location in patent: Page/Page column 28
[2] Bioorganic and medicinal chemistry letters, 2000, vol. 10, # 15, p. 1625 - 1628
[3] Patent: US5635510, 1997, A
[4] Patent: US5824690, 1998, A
TERT-BUTYL 4-CYANO-4-(PYRIDIN-2-YL)PIPERIDINE-1-CARBOXYLATE Preparation Products And Raw materials
Raw materials
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View Lastest Price from TERT-BUTYL 4-CYANO-4-(PYRIDIN-2-YL)PIPERIDINE-1-CARBOXYLATE manufacturers
- Product
- TERT-BUTYL 4-CYANO-4-(PYRIDIN-2-YL)PIPERIDINE-1-CARBOXYLATE 167263-04-9
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 95%-99%
- Supply Ability
- 1ton
- Release date
- 2020-01-08