1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate
Application- Product Name
- 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate
- CAS No.
- 161491-24-3
- Chemical Name
- 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate
- Synonyms
- Methyl N-Boc-4-piperidone-3-carboxylate;1-Boc-4-oxo-3-piperidine carboxylic acid Methyl ester;methyl 1-tert-butoxycarbonyl-4-oxo-3-piperidinecarboxylate;1-O-tert-butyl 3-O-methyl 4-oxopiperidine-1,3-dicarboxylate;N-BOC-3-carbomethoxy-4-piperidone;1-tert-Butyl 3-methyl 4-oxopiperidine-;Methyl N-BOC-4-piperidine-3-carboxylate;Methyl 1-BOC-4-oxopiperidine-3-carboxylate;METHYL N-BOC-4-OXOPIPERIDINE-3-CARBOXYLATE;Methyl1-N-Boc4-oxopiperidine-3-carboxylate
- CBNumber
- CB61501216
- Molecular Formula
- C12H19NO5
- Formula Weight
- 257.28
- MOL File
- 161491-24-3.mol
1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate Property
- Melting point:
- 32-34 °C
- Boiling point:
- 350.0±42.0 °C(Predicted)
- Density
- 1.175±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Store in freezer, under -20°C
- pka
- 11.06±0.20(Predicted)
- Appearance
- White to yellow Solid
- InChI
- InChI=1S/C12H19NO5/c1-12(2,3)18-11(16)13-6-5-9(14)8(7-13)10(15)17-4/h8H,5-7H2,1-4H3
- InChIKey
- HBWUTYLVFYVXML-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(=O)C(C(OC)=O)C1
Safety
- HS Code
- 2933399990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- M3338
- Product name
- 1-tert-Butyl 3-Methyl 4-Oxopiperidine-1,3-dicarboxylate
- Packaging
- 5G
- Price
- $33
- Updated
- 2026/04/30
- Product number
- M3338
- Product name
- 1-tert-Butyl 3-Methyl 4-Oxopiperidine-1,3-dicarboxylate
- Packaging
- 25G
- Price
- $101
- Updated
- 2026/04/30
- Product number
- 263847
- Product name
- 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate
- Purity
- Asreported
- Packaging
- 500mg
- Price
- $389
- Updated
- 2026/06/03
- Product number
- 263847
- Product name
- 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate
- Purity
- Asreported
- Packaging
- 1g
- Price
- $556
- Updated
- 2026/06/03
- Product number
- 263847
- Product name
- 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate
- Purity
- Asreported
- Packaging
- 2g
- Price
- $805
- Updated
- 2026/06/03
1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate Chemical Properties,Usage,Production
Application
1-tert-butyl 4-oxopiperidinium-1,3-dicarboxylic acid ester and 3-methyl ester can be used as organic synthesis intermediates and pharmaceutical intermediates in laboratory research and development processes and chemical and pharmaceutical synthesis processes.
Chemical Properties
White to Light yellow powder to crystal
Synthesis
79099-07-3
616-38-6
161491-24-3
60% sodium hydride (3.5 g, 88 mmol) was suspended in anhydrous toluene (50 mL) at room temperature and protected by nitrogen. Dimethyl carbonate (4.32 g, 48.0 mmol) was added slowly and dropwise to this suspension over a period of 0.5 hours. After the addition of a few drops of methanol, a solution of N-tert-butoxycarbonyl-4-piperidone (4.8 g, 24 mmol) dissolved in anhydrous toluene (20 mL) was added dropwise to the reaction mixture while maintaining the reaction system at 80 °C with stirring. The reaction mixture was continued to be stirred at the same temperature for 3 h. The reaction mixture was subsequently cooled to 0 °C (ice bath) and the pH was adjusted to 6-6.5 with acetic acid. the resulting cold mixture was diluted with water (10 mL) and the pH was adjusted to 8 with 5% sodium hydroxide solution. the toluene layer was separated and the aqueous layer was extracted with toluene (20 mL). The combined organic layers were dried with anhydrous sodium sulfate and concentrated under reduced pressure. The product was dried under vacuum to afford methyl methyl-1-tert-butoxycarbonyl-4-oxo-3-piperidinecarboxylate (5.0 g, 80% yield). The resulting compound did not require further purification and could be used directly in the subsequent reaction.
References
[1] European Journal of Medicinal Chemistry, 2009, vol. 44, # 10, p. 4063 - 4069
[2] Patent: WO2016/123571, 2016, A1. Location in patent: Paragraph 00265
[3] Journal of the American Chemical Society, 2016, vol. 138, # 40, p. 13271 - 13280
[4] Journal of the American Chemical Society, 2015, vol. 137, # 21, p. 6738 - 6741
[5] Patent: CN107163045, 2017, A. Location in patent: Paragraph 0037; 0038
1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate manufacturers
- Product
- 1-(tert-butyl) 3-methyl 4-oxopiperidine -1,3-dicarboxylate 161491-24-3
- Price
- US $300.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 2mt/month
- Release date
- 2024-07-05
- Product
- Methyl N-Boc-4-piperidone-3-carboxylate 161491-24-3
- Price
- US $200.00-1.00/KG
- Min. Order
- 1KG
- Purity
- 99%, 99.5% Sublimated
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2023-12-30
- Product
- 1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate 161491-24-3
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 10KG
- Release date
- 2019-08-05