N-Cbz-hexahydro-1H-azepin-4-one
- CAS No.
- 83621-33-4
- Chemical Name:
- N-Cbz-hexahydro-1H-azepin-4-one
- Synonyms
- N-Cbz-azepan-4-one;N-CBZ-4-OXOAZEPANE;N-Cbz Azepane-4-one;4-oxoazepane-1-carboxyL;N-CBZ-4-perhydroazepinone;N-CBZ-PERHYDROAZEPIN-4-ONE;AZEPAN-4-ONE, N-CBZ PROTECTED;N-Cbz-hexahydro-1H-azepin-4-one;1-Cbz-hexahydro-4-oxo-1H-azepine;PERHYDROAZEPIN-4-ONE, N-CBZ PROTECTED
- CBNumber:
- CB7276590
- Molecular Formula:
- C14H17NO3
- Molecular Weight:
- 247.29
- MDL Number:
- MFCD03788442
- MOL File:
- 83621-33-4.mol
- MSDS File:
- SDS
| Boiling point | 398.2±42.0 °C(Predicted) |
|---|---|
| Density | 1.177±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| pka | -1.55±0.20(Predicted) |
| Appearance | Colorless to light yellow Liquid |
| InChI | InChI=1S/C14H17NO3/c16-13-7-4-9-15(10-8-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2 |
| InChIKey | ORJQXZSDLARZBC-UHFFFAOYSA-N |
| SMILES | N1(C(OCC2=CC=CC=C2)=O)CCCC(=O)CC1 |
| UNSPSC Code | 12352200 |
| NACRES | NA.21 |
N-Cbz-hexahydro-1H-azepin-4-one price More Price(59)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | SYX00187 | Benzyl 4-oxoazepane-1-carboxylate Aldrich | 83621-33-4 | 1g | $454 | 2026-04-30 | Buy |
| AstaTech | SC1561 | N-CBZ-4-OXOAZEPANE 95% | 83621-33-4 | 1G | $38 | 2026-04-30 | Buy |
| AstaTech | SC1561 | N-CBZ-4-OXOAZEPANE 95% | 83621-33-4 | 5G | $99 | 2026-04-30 | Buy |
| AstaTech | SC1561 | N-CBZ-4-OXOAZEPANE 95% | 83621-33-4 | 25G | $285 | 2026-04-30 | Buy |
| Apolloscientific | OR4404 | Azepan-4-one, N-CBZ protected ≥95% | 83621-33-4 | 500mg | $98 | 2026-06-04 | Buy |
N-Cbz-hexahydro-1H-azepin-4-one Chemical Properties, Uses, Production
Synthesis
31696-09-0
83621-33-4
General procedure for the synthesis of N-CBZ-4-azepinone from ethyl 1-Cbz-5-oxoazepane-4-carboxylate: an aqueous solution of potassium hydroxide (24.6 g, 375 mmol) (400 mL) was added to an ethanolic solution of 5-benzyl 4-ethyl-5-oxo-1,4-azepanedicarboxylate (40.0 g, 125 mmol) (400 mL). The reaction mixture was heated to reflux for 2.5 hours. After completion of the reaction, it was cooled to room temperature and ethanol was removed by distillation under reduced pressure. Subsequently, the reaction mixture was diluted with 200 mL of brine and 300 mL of ethyl acetate. The organic and aqueous layers were separated and the aqueous phase was further extracted with ethyl acetate (2 x 100 mL). All organic layers were combined, washed with brine, dried over anhydrous magnesium sulfate, and concentrated under reduced pressure to give an orange colored oil. Purification by fast column chromatography (silica gel, 40% ethyl acetate/hexane as eluent) gave a clarified colorless oily product (22.6 g, 73% yield). The structure of the product was analyzed by 1H NMR (CDCl3, δ: 7.31-7.30, 5.12, 3.65-3.63, 2.68-2.60, 1.81-1.78) and IR (liquid, cm-1: 1698, 1475, 1454, 1442, 1423, 1331, 1320, 1295, 1270, 1241, 1191 , 1165, 1091, 900, 699) confirmed.
References
[1] Patent: EP1173440, 2004, B1. Location in patent: Page 11
[2] Patent: EP1173440, A1. Location in patent: Page 11
[2] Patent: , 2002, . Location in patent: Page 11
[4] Patent: WO2008/39420, 2008, A2. Location in patent: Page/Page column 32
[5] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 3, p. 918 - 921
N-Cbz-hexahydro-1H-azepin-4-one Preparation Products And Raw materials
Raw materials
1of2
Preparation Products
N-Cbz-hexahydro-1H-azepin-4-one Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| JinYan Chemicals(ShangHai) Co.,Ltd. | 13817811078 | sales@jingyan-chemical.com | China | 9963 | 60 |
| Tetranov Biopharm | 13526569071 | sales@leadmedpharm.com | China | 7881 | 64 |
| Accela ChemBio Co.,Ltd. | 021-50795510 4000665055 | marketing@accelachem.com | China | 10972 | 64 |
| Shanghai Boc Chemical Co.,Ltd | 021-34975603-808 18721111801 | sales@bocpharma.com | China | 991 | 64 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| Shanghai Ennopharm Co., Ltd. | +86 (21) 6435-5022 | China | 4263 | 65 | |
| Shanghai Sunway Pharmaceutical Technology Co., Ltd | 13761987713 | hxzheng@sunwaypharm.cn | China | 8663 | 57 |
| Hangzhou Sage Chemical Co., Ltd. | +86057186818502 13588463833 | info@sagechem.com | China | 10265 | 58 |
| Shanghai Topbiochem Technology Co., Ltd | +86-21-60341587 | sales@topbiochem.com | China | 6166 | 58 |
View Latest Price from N-Cbz-hexahydro-1H-azepin-4-one manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
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2020-01-15 | N-CBZ-HEXAHYDRO-1H-AZEPIN-4-ONE
83621-33-4
|
$5.50 | 1KG | 98%min | 1kg-100kg | Career Henan Chemical Co |
-
- N-CBZ-HEXAHYDRO-1H-AZEPIN-4-ONE
83621-33-4
- $5.50
- 98%min
- Career Henan Chemical Co
