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| | Ethyl 1-Boc-5-oxo-hexahydro-1H-azepine-4-carboxylate Basic information |
| Product Name: | Ethyl 1-Boc-5-oxo-hexahydro-1H-azepine-4-carboxylate | | Synonyms: | Hexahydro-5-oxo-1H-azepine-1,4-dicarboxylicacid1-tert-butyl4-ethyldiester;1-TERT-BUTYL 4-ETHYL-5-OXOAZEPANE-1,4-DICARBOXYLATE;Ethyl 1- Boc-5-oxoazepane-4-carboxylate;ethyl 1-boc-5-oxo-hexahydro-1h-azepine-4-carboxylate 85+%;ETHYL-1-BOC-OXO-HEXA-HYDRO-1H-AZEPINE-4-CARBOXYLATE;1H-Azepine-1,4-dicarboxylicacid, hexahydro-5-oxo-, 1-(1,1-dimethylethyl) 4-ethyl ester;Tert-Butyl 4-(ethoxycarbonyl)-5-oxoazepane-1-carboxylate;Ethyl 1-Boc-5-oxo-hexanydro-1H-azepine-4-carboxylate | | CAS: | 141642-82-2 | | MF: | C14H23NO5 | | MW: | 285.34 | | EINECS: | | | Product Categories: | pharmacetical | | Mol File: | 141642-82-2.mol |  |
| | Ethyl 1-Boc-5-oxo-hexahydro-1H-azepine-4-carboxylate Chemical Properties |
| Boiling point | 380.8±42.0 °C(Predicted) | | density | 1.127±0.06 g/cm3(Predicted) | | storage temp. | Storage temp. 2-8°C | | pka | 11.41±0.20(Predicted) | | Appearance | Light yellow to brown Liquid | | InChI | InChI=1S/C14H23NO5/c1-5-19-12(17)10-6-8-15(9-7-11(10)16)13(18)20-14(2,3)4/h10H,5-9H2,1-4H3 | | InChIKey | FGOJCPKOOGIRPA-UHFFFAOYSA-N | | SMILES | N1(C(OC(C)(C)C)=O)CCC(=O)C(C(OCC)=O)CC1 |
| | Ethyl 1-Boc-5-oxo-hexahydro-1H-azepine-4-carboxylate Usage And Synthesis |
| Uses | Ethyl 1-Boc-5-oxo-hexahydro-1H-azepine-4-carboxylate was used in the study of synthesis and study of selective 5-HT2C receptor agonist and its activity, and structure-activity relationship of pyrimido[4,5-d]azepines. | | Synthesis | Ethyl 5-oxoazepane-1-carboxylate was prepared by a ring expansion reaction using 4-oxopiperidone hydrochloride and ethyl diazoacetate as starting materials, which was directly used in the next step without purification. The target compound 1-BOC-5-oxoazepane-carboxylic acid ethyl ester was prepared by condensation reaction with di-tert-butyl dicarbonate under alkaline condition. |
| | Ethyl 1-Boc-5-oxo-hexahydro-1H-azepine-4-carboxylate Preparation Products And Raw materials |
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