| Identification | Back Directory | [Name]
4-Amino-6-chloro-5-fluoropyrimidine | [CAS]
851984-15-1 | [Synonyms]
6-Chloro-5-fluoropyrimidin-4-amine
5-Amino-6-chloro-5-fluoropyrimidine
4-chloro-5-fluoro-6-aminopyrimidine
4-Amino-6-chloro-5-fluoropyrimidine
6-Chloro-5-fluoropyrimidine-4-amine
4-Pyrimidinamine, 6-chloro-5-fluoro-
4-Amino-6-chloro-5-fluoropyrimidine ISO 9001：2015 REACH | [Molecular Formula]
C4H3ClFN3 | [MDL Number]
MFCD14706712 | [MOL File]
851984-15-1.mol | [Molecular Weight]
147.54 |
| Chemical Properties | Back Directory | [Boiling point ]
275.2±35.0℃ (760 Torr) | [density ]
1.564±0.06 g/cm3 (20 ºC 760 Torr) | [Fp ]
120.3±25.9℃ | [storage temp. ]
Inert atmosphere,2-8°C | [pka]
0.27±0.10(Predicted) | [Appearance]
White to light yellow Solid | [InChI]
InChI=1S/C4H3ClFN3/c5-3-2(6)4(7)9-1-8-3/h1H,(H2,7,8,9) | [InChIKey]
FEIFDRDCVMVUJA-UHFFFAOYSA-N | [SMILES]
C1=NC(Cl)=C(F)C(N)=N1 |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 4-amino-6-chloro-5-fluoropyrimidine from 4,6-dichloro-5-fluoropyrimidine: 4,6-dichloro-5-fluoropyrimidine (1.67 g, 10.0 mmol), n-butanol (6 mL), and 28% aqueous ammonium hydroxide (12 mL) were added to a sealed tube and mixed well. The reaction mixture was heated at 90 °C for 2 hours. After completion of the reaction, it was cooled to room temperature and the precipitated white crystals were collected by filtration to afford the target product 4-amino-6-chloro-5-fluoropyrimidine (1.31 g, 89% yield). The product was analyzed by LC-MS (ESI), m/z: 147.9 [M+H]+. | [References]
[1] Patent: WO2012/35039, 2012, A1. Location in patent: Page/Page column 108-109
[2] Patent: US2009/36419, 2009, A1. Location in patent: Page/Page column 44
[3] Patent: WO2013/185082, 2013, A2. Location in patent: Page/Page column 47 |
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