| Identification | Back Directory | [Name]
1,1-DIMETHOXY-4-DIMETHYLAMINOBUT-3-EN-2-ONE | [CAS]
67751-23-9 | [Synonyms]
BUTTPARK 43\57-38
1,1-DIMETHOXY-4-DIMETHYLAMINOBUT-3-EN-2-ONE
1,1-Dimethoxy-4-dimethylamino-3-buten-2-one
1,1-DiMethoxyI-4-diMethylaMinobut-3-en-2-one
4-Dimethylamino-1,1-dimethoxy-3-butene-2-one
E-1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one
4-(Dimethylamino)-1,1-dimethoxy-3-buten-2-one
4-(DIMETHYLAMINO)-1,1-DIMETHOXYBUT-3-EN-2-ONE
3-Buten-2-one, 4-(dimethylamino)-1,1-dimethoxy-
4-(dimethylamino)-1,1-dimethoxybut-3-en-2-one 98%
4-(Dimethylamino)-1,1-dimethoxybut-3-en-2-one, 95+%
[(1E)-4,4-Dimethoxy-3-oxobut-1-en-1-yl]dimethylamine | [Molecular Formula]
C8H15NO3 | [MDL Number]
MFCD00085024 | [MOL File]
67751-23-9.mol | [Molecular Weight]
173.21 |
| Chemical Properties | Back Directory | [Boiling point ]
110 °C | [density ]
1.008g/ml | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [form ]
liquid | [pka]
6.42±0.70(Predicted) | [color ]
Dark brown | [InChI]
InChI=1S/C8H15NO3/c1-9(2)6-5-7(10)8(11-3)12-4/h5-6,8H,1-4H3 | [InChIKey]
DFZIBCAWOSFLFR-UHFFFAOYSA-N | [SMILES]
C(OC)(OC)C(=O)C=CN(C)C |
| Hazard Information | Back Directory | [Uses]
4-Dimethylamino-1,1-dimethoxybut-3-en-2-one is used in the preparation of substituted anthranilic amide derivatives as VEGF modulators against cancer and other disorders. | [Synthesis]
The general procedure for the synthesis of 4-(dimethylamino)-1,1-dimethoxy-3-buten-2-one from 1,1-dimethoxyacetone and N,N-dimethylformamide dimethyl acetal was as follows: 1,1-dimethoxy-N,N-dimethylformamide (100 g, 839 mmol, 1.02 equiv.) was mixed with 1,1-dimethoxyacetone (97 g, 821 mmol) were mixed and the reaction was stirred at 110 °C for 3 hours. The methanol generated was removed during the reaction via a Dean-Stark device. Upon completion of the reaction, the reaction solution was cooled to room temperature and the remaining volatiles were subsequently removed under vacuum to afford the crude product (E)-4-(dimethylamino)-1,1-dimethoxybut-3-en-2-one (130 g, theoretical yield 143 g, 91% yield). The product was analyzed by LC-MS, m/z 283 (M + 1). Ref: WO 2006/0097341A1 (incorporated by reference), p. 67. | [References]
[1] Patent: US2012/270892, 2012, A1. Location in patent: Page/Page column 56
[2] Patent: WO2013/2660, 2013, A2. Location in patent: Paragraph 00145; 00146
[3] Tetrahedron, 2008, vol. 64, # 33, p. 7745 - 7758
[4] Patent: WO2004/22553, 2004, A1. Location in patent: Page/Page column 18
[5] Patent: US2011/98272, 2011, A1. Location in patent: Page/Page column 22 |
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