3,3-DIMETHYL-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER
- Product Name
- 3,3-DIMETHYL-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER
- CAS No.
- 473838-66-3
- Chemical Name
- 3,3-DIMETHYL-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER
- Synonyms
- N-Cbz-3,3-dimethyl-4-oxo-piperidine;1-Cbz-3,3-diMethyl-4-oxo-piperidine;benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;3,3-DIMETHYL-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER;1-Piperidinecarboxylic acid, 3,3-dimethyl-4-oxo-, phenylmethyl ester
- CBNumber
- CB21502033
- Molecular Formula
- C15H19NO3
- Formula Weight
- 261.32
- MOL File
- 473838-66-3.mol
3,3-DIMETHYL-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER Property
- Boiling point:
- 388.1±42.0 °C(Predicted)
- Density
- 1.132±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- -1.56±0.40(Predicted)
- form
- solid
- Appearance
- Colorless to light yellow Liquid
- InChI
- 1S/C15H19NO3/c1-15(2)11-16(9-8-13(15)17)14(18)19-10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
- InChIKey
- QHCSLEQTUOGKAJ-UHFFFAOYSA-N
- SMILES
- O=C(OCC1=CC=CC=C1)N2CC(C)(C)C(CC2)=O
Safety
- Storage Class
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
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
- D460388
- Product name
- 3,3-Dimethyl-4-oxo-piperidine-1-carboxylicAcidBenzylEster
- Packaging
- 100mg
- Price
- $65
- Updated
- 2021/12/16
- Product number
- D460388
- Product name
- 3,3-Dimethyl-4-oxo-piperidine-1-carboxylicAcidBenzylEster
- Packaging
- 1g
- Price
- $330
- Updated
- 2021/12/16
- Product number
- CS-0049850
- Product name
- Benzyl3,3-dimethyl-4-oxopiperidine-1-carboxylate
- Packaging
- 100mg
- Price
- $68
- Updated
- 2021/12/16
- Product number
- CS-0049850
- Product name
- Benzyl3,3-dimethyl-4-oxopiperidine-1-carboxylate
- Packaging
- 250mg
- Price
- $113
- Updated
- 2021/12/16
- Product number
- 4H56-1-758
- Product name
- Benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate
- Purity
- 97.0%
- Packaging
- 250mg
- Price
- $190
- Updated
- 2021/12/16
3,3-DIMETHYL-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER Chemical Properties,Usage,Production
Synthesis
648921-37-3
501-53-1
473838-66-3
The general procedure for the synthesis of benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate from 3,3-dimethylpiperidin-4-one hydrochloride and benzyl chloroformate was as follows: sodium bicarbonate (1.28 g, 15.28 mmol, 2.50 eq.) and benzyl chloroformate (1.25 g, 7.33 mmol, 1.20 eq.) were sequentially added to tetrahydrofuran (5.00 mL) and water (5.00 mL) at 0 °C containing 3,3 -dimethylpiperidin-4-one hydrochloride (1.00 g, 6.11 mmol, 1.00 equiv) in a mixed solution of tetrahydrofuran (5.00 mL) and water (5.00 mL). The reaction mixture was stirred at 15 °C for 12 hours. Upon completion of the reaction, the reaction mixture was extracted with ethyl acetate (20 mL). The organic layers were combined, washed with brine (10 mL x 2), dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to afford benzyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate (1.60 g, 4.81 mmol, 78.66% yield) as a colorless oil with 78.5% purity. The product was characterized by 1H NMR (400 MHz, CDCl3): δ 7.35-7.25 (m, 6H), 5.11 (s, 2H), 3.72 (t, J = 6.3 Hz, 2H), 3.42 (br.s., 2H), 2.44 (br.s., 2H), 1.02 (br.s., 6H).
References
[1] Patent: EP3252059, 2017, A1. Location in patent: Paragraph 0530; 0535; 0536
[2] Patent: WO2017/189386, 2017, A1. Location in patent: Page/Page column 44
[3] Patent: WO2018/136887, 2018, A1. Location in patent: Page/Page column 154; 155
3,3-DIMETHYL-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER Preparation Products And Raw materials
Raw materials
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