3-Oxo-Piperidine-1,4-Dicarboxylic Acid 1-Tert-Butyl Ester 4-Ethyl Ester
- Product Name
- 3-Oxo-Piperidine-1,4-Dicarboxylic Acid 1-Tert-Butyl Ester 4-Ethyl Ester
- CAS No.
- 71233-25-5
- Chemical Name
- 3-Oxo-Piperidine-1,4-Dicarboxylic Acid 1-Tert-Butyl Ester 4-Ethyl Ester
- Synonyms
- 3-Oxo-Piperidine-1;Ethyl 1-Boc-3-oxopiperidine-4-carboxylate;Ethyl N-Boc-3-Oxopiperidine-4-carboxylate;Ethyl 1-N-Boc-3-oxopiperidine-4-carboxylate;Ethyl1-Boc-3-oxopiperidine-4-carboxylate,97%;3-Oxo-piperidine-1-carboxylic acid tert-butyl este;4-Dicarboxylic Acid 1-Tert-Butyl Ester 4-Ethyl Ester;1-tert-Butyl 4-ethyl 3-oxo-1,4-piperidinedicarboxylate;1-tert-Butyl 4-ethyl 3-oxopiperidine-1,4-dicarboxylate;1-tert-Butyl 4-ethyl 3-oxo-piperidin-1,4-dicarboxylate
- CBNumber
- CB71518745
- Molecular Formula
- C13H21NO5
- Formula Weight
- 271.31
- MOL File
- 71233-25-5.mol
3-Oxo-Piperidine-1,4-Dicarboxylic Acid 1-Tert-Butyl Ester 4-Ethyl Ester Property
- Boiling point:
- 364.6±42.0 °C(Predicted)
- Density
- 1.152±0.06 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 11.17±0.20(Predicted)
- form
- Liquid
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C13H21NO5/c1-5-18-11(16)9-6-7-14(8-10(9)15)12(17)19-13(2,3)4/h9H,5-8H2,1-4H3
- InChIKey
- WCTXJAXKORIYNA-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(C(OCC)=O)C(=O)C1
Safety
- HS Code
- 2933399990
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.
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.
P405Store locked up.
N-Bromosuccinimide Price
- Product number
- B693925
- Product name
- 1-tert-Butyl4-Ethyl3-Oxopiperidine-1,4-dicarboxylate
- Packaging
- 5g
- Price
- $140
- Updated
- 2021/12/16
- Product number
- 069342
- Product name
- 1-tert-Butyl 4-ethyl 3-oxopiperidine-1,4-dicarboxylate
- Purity
- 95+%
- Packaging
- 25g
- Price
- $98
- Updated
- 2021/12/16
- Product number
- 069342
- Product name
- 1-tert-Butyl 4-ethyl 3-oxopiperidine-1,4-dicarboxylate
- Purity
- 95+%
- Packaging
- 1g
- Price
- $10
- Updated
- 2021/12/16
- Product number
- 069342
- Product name
- 1-tert-Butyl 4-ethyl 3-oxopiperidine-1,4-dicarboxylate
- Purity
- 95+%
- Packaging
- 5g
- Price
- $33
- Updated
- 2021/12/16
- Product number
- J95891
- Product name
- Ethyl1-Boc-3-oxopiperidine-4-carboxylate
- Packaging
- 10g
- Price
- $49
- Updated
- 2021/12/16
3-Oxo-Piperidine-1,4-Dicarboxylic Acid 1-Tert-Butyl Ester 4-Ethyl Ester Chemical Properties,Usage,Production
Chemical Properties
Ethyl 1-N-Boc-3-oxopiperidine-4-carboxylate appears as white to light yellow crystals, and contains a piperidine ring in its molecule, which gives it a certain basicity and allows it to have a neutralization reaction with acids.
Uses
1-tert-Butyl 4-Ethyl 3-Oxopiperidine-1,4-dicarboxylate is a reactant used in the synthesis of heteroaryl N-sulfonamides which demonstrate cell-death.
Synthesis
24424-99-5
52763-21-0
71233-25-5
1. A Parr autoclave was charged with ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride (10.0 g, 33.58 mmol), 10% Pd/C catalyst (1.0 g), di-tert-butyl dicarbonate (Boc2O, 14.64 g, 67.16 mmol), sodium carbonate (Na2CO3, 3.56 g, 33.58 mmol) and anhydrous ethanol (EtOH, 100 ml). 2. Hydrogen was introduced into the autoclave to a pressure of 38 bar and the reaction mixture was subsequently stirred at 50 °C for 48 h. After the reaction was completed, the reaction mixture was purified by boiling the hydrogen gas under high pressure. 3. After completion of the reaction, the autoclave was cooled to 25 °C and the hydrogen pressure was slowly released. 4. The catalyst was removed by filtration and the filtrate was concentrated under reduced pressure to give a yellow oil. 5. The crude product was purified by column chromatography (eluent: hexane/ethyl acetate, 2:1) to afford ethyl 1-N-Boc-3-oxopiperidine-4-carboxylate (9.10 g, 100% yield) as a clear oil. 6. The product was subjected to thin layer chromatography (TLC). 6. The product was detected by thin layer chromatography (TLC) with an Rf value of 0.70 (Expanding agent: hexane/ethyl acetate, 2:1). 7. The structure of the product was confirmed by 1H NMR (CDCl3, 400 MHz) and HRMS (CI) and the results were as expected.
References
[1] Synthesis, 2011, # 8, p. 1208 - 1212
[2] Patent: WO2015/124941, 2015, A1. Location in patent: Page/Page column 134
[3] Patent: US2002/19388, 2002, A1
[4] Patent: WO2008/130581, 2008, A1. Location in patent: Page/Page column 161; 171
[5] Patent: WO2007/15162, 2007, A1. Location in patent: Page/Page column 85
3-Oxo-Piperidine-1,4-Dicarboxylic Acid 1-Tert-Butyl Ester 4-Ethyl Ester Preparation Products And Raw materials
Raw materials
Preparation Products
3-Oxo-Piperidine-1,4-Dicarboxylic Acid 1-Tert-Butyl Ester 4-Ethyl Ester Suppliers
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View Lastest Price from 3-Oxo-Piperidine-1,4-Dicarboxylic Acid 1-Tert-Butyl Ester 4-Ethyl Ester manufacturers
- Product
- 3-Oxo-Piperidine-1,4-Dicarboxylic Acid 1-Tert-Butyl Ester 4-Ethyl Ester 71233-25-5
- Price
- US $1.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 200kg
- Release date
- 2018-12-20