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| | 1-Boc-3-[(Dimethylamino)methylene]-4-oxopiperidine Basic information |
| Product Name: | 1-Boc-3-[(Dimethylamino)methylene]-4-oxopiperidine | | Synonyms: | 1-Boc-3-[(Dimethylamino)methylene]-4-oxopiperidine;3-[(Dimethylamino)methylene]piperidin-4-one, N1-BOC protected;tert-butyl 3-[(diMethylaMino)Methylidene]-4-oxopiperidine-1-carboxylate;3-[(Dimethylamino)methylene]-4-oxopiperidine-1-carboxylic acid tert-butyl ester;-4-oxopiperidine-1-carboxylate;tert-Butyl 3-((dimethylamino);3-(dimethylaminomethylidene)-4-oxo-1-piperidinecarboxylic acid tert-butyl ester;1-Piperidinecarboxylic acid, 3-[(dimethylamino)methylene]-4-oxo-, 1,1-dimethylethyl ester | | CAS: | 157327-41-8 | | MF: | C13H22N2O3 | | MW: | 254.33 | | EINECS: | | | Product Categories: | | | Mol File: | 157327-41-8.mol | ![1-Boc-3-[(Dimethylamino)methylene]-4-oxopiperidine Structure](CAS/GIF/157327-41-8.gif) |
| | 1-Boc-3-[(Dimethylamino)methylene]-4-oxopiperidine Chemical Properties |
| Melting point | 85~87℃ | | Boiling point | 357.9±42.0 °C(Predicted) | | density | 1.144±0.06 g/cm3(Predicted) | | storage temp. | 2-8°C | | form | solid | | pka | 5.07±0.20(Predicted) | | Appearance | Light yellow to yellow Solid | | InChI | InChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)15-7-6-11(16)10(9-15)8-14(4)5/h8H,6-7,9H2,1-5H3 | | InChIKey | YUSMZDVTEOAHDL-UHFFFAOYSA-N | | SMILES | N1(C(OC(C)(C)C)=O)CCC(=O)C(=CN(C)C)C1 |
| WGK Germany | WGK 3 | | HS Code | 2933399990 | | Storage Class | 11 - Combustible Solids |
| | 1-Boc-3-[(Dimethylamino)methylene]-4-oxopiperidine Usage And Synthesis |
| Synthesis | The general procedure for the synthesis of 1-Boc-3-[(dimethylamino)methylene]-4-oxopiperidine from N-tert-butoxycarbonyl-4-piperidone and N,N-dimethylformamide dimethyl acetal was as follows: N,N-dimethylformamide dimethyl acetal (18 g, 20 mL, 151 mmol) was mixed with 1-(tert-butoxycarbonyl)piperidin-4-one (30 g, 151 mmol) were dissolved in N,N-dimethylformamide (240 mL) and the reaction was stirred at 80°C for 24 hours. After completion of the reaction, the reaction mixture was concentrated under reduced pressure to afford the target product 1-Boc-3-[(dimethylamino)methylene]-4-oxopiperidine as a yellow solid (38.4 g, 100% yield). Mass spectrum (ESI, positive ion mode) m/z: 255 [M + H]+. | | References | [1] Patent: WO2014/89324, 2014, A1. Location in patent: Paragraph 0308
[2] Patent: CN104016979, 2017, B. Location in patent: Paragraph 0905; 0906; 0907
[3] Patent: CN105669672, 2016, A. Location in patent: Paragraph 0027; 0031; 0032
[4] Patent: US2013/237538, 2013, A1. Location in patent: Paragraph 0252
[5] Patent: US2013/237537, 2013, A1. Location in patent: Paragraph 0236-0237 |
| | 1-Boc-3-[(Dimethylamino)methylene]-4-oxopiperidine Preparation Products And Raw materials |
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