| Identification | Back Directory | [Name]
Pyrimidine, 5-bromo-2-ethyl- (9CI) | [CAS]
873331-73-8 | [Synonyms]
5-Bromo-2-ethylpyrimidine
5-Bromo-2-ethyl-pyrimidin
PyriMidine, 5-broMo-2-ethyl-
Pyrimidine, 5-bromo-2-ethyl- (9CI)
Pyrimidine, 5-bromo-2-ethyl- (9CI) ISO 9001：2015 REACH | [Molecular Formula]
C6H7BrN2 | [MDL Number]
MFCD14707237 | [MOL File]
873331-73-8.mol | [Molecular Weight]
187.04 |
| Chemical Properties | Back Directory | [Boiling point ]
211.8±13.0 °C(Predicted) | [density ]
1.497±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [pka]
0.56±0.22(Predicted) | [InChI]
InChI=1S/C6H7BrN2/c1-2-6-8-3-5(7)4-9-6/h3-4H,2H2,1H3 | [InChIKey]
SQOJDBHJUUGQJP-UHFFFAOYSA-N | [SMILES]
C1(CC)=NC=C(Br)C=N1 |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 5-bromo-2-ethylpyrimidine from 5-bromo-2-ethyl-4-pyrimidinecarboxylic acid: 5-bromo-2-ethyl-4-pyrimidinecarboxylic acid (5.6 g, 24.3 mmol) was dissolved in xylene (50 mL), and the reaction was carried out at reflux for 2 hours. After completion of the reaction, the reaction mixture was cooled and the sample was directly upsampled onto a silica gel column, eluting first with petroleum ether and then with petroleum ether solution containing 5% ethyl acetate, and the target fractions were collected to afford compound 0601-121 (1.7 g, 38% yield) as a yellow liquid.1H NMR (400 MHz, DMSO-d6) δ: 1.26 (t, J = 7.6 Hz, 3H) 2.87 (q, J = 7.6 Hz, 2H), 8.90 (s, 2H). | [References]
[1] Patent: WO2011/130628, 2011, A1. Location in patent: Page/Page column 178
[2] Patent: US2013/102595, 2013, A1. Location in patent: Paragraph 0373
[3] Patent: JP2015/187145, 2015, A. Location in patent: Paragraph 0326 |
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