Ethyl 1-Cbz-5-oxoazepane-4-carboxylate
- Product Name
- Ethyl 1-Cbz-5-oxoazepane-4-carboxylate
- CAS No.
- 31696-09-0
- Chemical Name
- Ethyl 1-Cbz-5-oxoazepane-4-carboxylate
- Synonyms
- Ethyl 1-Cbz-5-oxoazepane-4-carboxylate;N-CBZ-5-OXOAZEPANE-4-CARBOXYLIC ACID ETHYL ESTER;1-O-benzyl 4-O-ethyl 5-oxoazepane-1,4-dicarboxylate;Ethyl 1-Cbz-5-oxoazepane-4-carboxylate ISO 9001：2015 REACH;1H-Azepine-1,4-dicarboxylic acid, hexahydro-5-oxo-, 4-ethyl 1-(phenylmethyl) ester
- CBNumber
- CB72597116
- Molecular Formula
- C17H21NO5
- Formula Weight
- 319.35
- MOL File
- 31696-09-0.mol
Ethyl 1-Cbz-5-oxoazepane-4-carboxylate Property
- Boiling point:
- 459.7±45.0 °C(Predicted)
- Density
- 1.208±0.06 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 11.40±0.20(Predicted)
- Appearance
- Colorless to light yellow Viscous liquid
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H313May be harmful in contact with skin
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.
P270Do not eat, drink or smoke when using this product.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
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.
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.
P330Rinse mouth.
P337+P313IF eye irritation persists: Get medical advice/attention.
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- 3450AB
- Product name
- 1-Benzyl4-ethyl5-oxoazepane-1,4-dicarboxylate
- Packaging
- 5g
- Price
- $415
- Updated
- 2021/12/16
- Product number
- 122425
- Product name
- Ethyl1-Cbz-5-oxoazepane-4-carboxylate
- Purity
- 97.0%
- Packaging
- 1g
- Price
- $430
- Updated
- 2021/12/16
- Product number
- CM104931
- Product name
- 1-benzyl4-ethyl5-oxoazepane-1,4-dicarboxylate
- Purity
- 95+%
- Packaging
- 10g
- Price
- $473
- Updated
- 2021/12/16
- Product number
- 31696090
- Product name
- 1-Benzyl4-ethyl5-oxoazepane-1,4-dicarboxylate
- Packaging
- 5g
- Price
- $650.44
- Updated
- 2021/12/16
- Product number
- A159139
- Product name
- 1-Benzyl4-ethyl5-oxoazepane-1,4-dicarboxylate
- Purity
- 95%
- Packaging
- 25g
- Price
- $831
- Updated
- 2021/12/16
Ethyl 1-Cbz-5-oxoazepane-4-carboxylate Chemical Properties,Usage,Production
Synthesis
623-73-4
19099-93-5
31696-09-0
To a suspension of benzyl 4-oxo-1-piperazine carboxylate (11.7 g, 50.3 mmol) in ether (100 ml) at -78 °C was slowly added ethyl diazoacetate (6.84 ml, 65.3 mmol) followed by dropwise addition of boron trifluoride ether complex (6.30 ml, 50.3 mmol). After 1 hr of reaction, the reaction was gradually warmed up to room temperature to give a clarified yellow solution. Saturated aqueous potassium carbonate solution was added slowly dropwise until no gas was produced. The organic phase was separated and washed with saturated aqueous potassium carbonate solution (2 x 50 ml), dried over anhydrous magnesium sulfate, filtered and concentrated under reduced pressure to give ethyl 1-Cbz-5-oxoazepane-4-carboxylate as a yellow oil (16.5 g, quantitative yield). The product can be used directly in the next reaction without further purification.LCMS analysis showed the following: calculated value MH+ (320); measured value 85% (MH+) m/z 320, retention time Rt=1.92 min.1H NMR (500MHz, CDCl3) δ 7.27-7.40 (5H, m), 5.05-5.19 (2H, m). 4.13-4.30 (2H, m), 3.84-3.98 (1H, m), 3.67-3.84 (2H, m), 3.34-3.57 (2H, m), 2.62-2.93 (2H, m), 1.98-2.14 (2H, m), 1.18-1.34 (3H, m).
References
[1] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 3, p. 918 - 921
[2] Patent: WO2009/135842, 2009, A1. Location in patent: Page/Page column 177-178
[3] Patent: WO2008/39420, 2008, A2. Location in patent: Page/Page column 32
[4] Patent: EP1173440, 2004, B1. Location in patent: Page 10
[5] Patent: EP1173440, A1. Location in patent: Page 10
Ethyl 1-Cbz-5-oxoazepane-4-carboxylate Preparation Products And Raw materials
Raw materials
Preparation Products
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