Methyl 2-oxopiperidine-4-carboxylate
- Product Name
- Methyl 2-oxopiperidine-4-carboxylate
- CAS No.
- 25504-47-6
- Chemical Name
- Methyl 2-oxopiperidine-4-carboxylate
- Synonyms
- MFCD17012745;Methyl 2-oxopiperidine-4-...;Methyl 2-oxopiperidine-4-carboxylate;2-ketoisonipecotic acid methyl ester;methyl (RS)-2-oxopiperidine-4-carboxylate;2-oxo-4-piperidinecarboxylic acid methyl ester;4-Piperidinecarboxylic acid, 2-oxo-, methyl ester;4-(Methoxycarbonyl)-2-oxopiperidine, Methyl 2-oxoisonipecotate
- CBNumber
- CB72615304
- Molecular Formula
- C7H11NO3
- Formula Weight
- 157.17
- MOL File
- 25504-47-6.mol
Methyl 2-oxopiperidine-4-carboxylate Property
- Boiling point:
- 316.0±35.0 °C(Predicted)
- Density
- 1.150±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 15.65±0.40(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C7H11NO3/c1-11-7(10)5-2-3-8-6(9)4-5/h5H,2-4H2,1H3,(H,8,9)
- InChIKey
- BIESXMIFDWYKTQ-UHFFFAOYSA-N
- SMILES
- N1CCC(C(OC)=O)CC1=O
Safety
- HS Code
- 2933399990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H314Causes severe skin burns and eye damage
H371May cause damage to organs
H401Toxic to aquatic life
H410Very toxic to aquatic life with long lasting effects
- Precautionary statements
-
P260Do not breathe 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.
P273Avoid release to the environment.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P391Collect spillage. Hazardous to the aquatic environment
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- B496058
- Product name
- Methyl2-Oxopiperidine-4-carboxylate
- Packaging
- 100mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- 4H48-1-58
- Product name
- Methyl 2-oxopiperidine-4-carboxylate
- Purity
- 95%
- Packaging
- 1g
- Price
- $225
- Updated
- 2021/12/16
- Product number
- Y5083
- Product name
- Methyl2-oxopiperidine-4-carboxylate
- Packaging
- 10g
- Price
- $676
- Updated
- 2021/12/16
- Product number
- 4H48-1-58
- Product name
- Methyl 2-oxopiperidine-4-carboxylate
- Purity
- 95%
- Packaging
- 5G
- Price
- $750
- Updated
- 2021/12/16
- Product number
- A106805
- Product name
- Methyl2-oxopiperidine-4-carboxylate
- Purity
- 95%
- Packaging
- 250mg
- Price
- $29
- Updated
- 2021/12/16
Methyl 2-oxopiperidine-4-carboxylate Chemical Properties,Usage,Production
Synthesis
67-56-1
24537-50-6
25504-47-6
Under nitrogen protection, 2-oxopiperidine-4-carboxylic acid (250 g, 1.74 mol) was dissolved in methanol (2.5 L), and N,N'-dicyclohexylcarbodiimide (DCC, 540 g, 2.62 mol) was added under stirring at room temperature, and the reaction was continued to be stirred for 16 hours. The progress of the reaction was monitored by thin layer chromatography (TLC) and after confirming the complete consumption of raw materials, the reaction mixture was diluted with ether (2.5 L) and stirring was continued for 2 hours. The resulting solid by-product (N,N'-dicyclohexylurea, DCU) was removed by filtration, and the filtrate was concentrated under reduced pressure to afford a solid containing the target product methyl 2-oxopiperidine-4-carboxylate mixed with a small amount of DCU and other impurities. The resulting solid was ground again with ether (2 L) and then treated with a solvent mixture of methanol and ethyl acetate (1:9, 3 L) for 3 hours. The undissolved DCU was removed by filtration and the filtrate was evaporated to afford the target compound methyl 2-oxopiperidine-4-carboxylate (100 g, 36% yield) as an off-white solid. The product was confirmed by 1H NMR (400 MHz, DMSO-d6) and LCMS (m/z: 158.2 [M+H]+) characterization.
References
[1] Patent: WO2018/26798, 2018, A1. Location in patent: Page/Page column 33; 34
Methyl 2-oxopiperidine-4-carboxylate Preparation Products And Raw materials
Raw materials
Preparation Products
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