| Identification | Back Directory | [Name]
1-Boc-3-[(Dimethylamino)methylene]-4-oxopiperidine | [CAS]
157327-41-8 | [Synonyms]
tert-Butyl 3-((dimethylamino)
-4-oxopiperidine-1-carboxylate
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
3-(dimethylaminomethylidene)-4-oxo-1-piperidinecarboxylic acid tert-butyl ester
1-Piperidinecarboxylic acid, 3-[(dimethylamino)methylene]-4-oxo-, 1,1-dimethylethyl ester | [Molecular Formula]
C13H22N2O3 | [MDL Number]
MFCD08443986 | [MOL File]
157327-41-8.mol | [Molecular Weight]
254.33 |
| Chemical Properties | Back Directory | [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 |
| Hazard Information | Back Directory | [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 |
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| Company Name: |
NovoChemy Ltd.
|
| Tel: |
021-31261262/ 49 (0)17662837245 |
| Website: |
www.novochemy.com |
| Company Name: |
Grader reagent
|
| Tel: |
18221735425 |
| Website: |
www.shxinping.net |
|