| Identification | Back Directory | [Name]
Pyrimidine, 2-ethynyl- (9CI) | [CAS]
37972-24-0 | [Synonyms]
2-Ethynylpyrimidine
PyriMidine,2-ethynyl-
2-Ethynylpyrimidine 97%
Pyrimidine, 2-ethynyl- (9CI) | [Molecular Formula]
C6H4N2 | [MDL Number]
MFCD10698134 | [MOL File]
37972-24-0.mol | [Molecular Weight]
104.11 |
| Chemical Properties | Back Directory | [Melting point ]
96.5°C | [Boiling point ]
228.2±23.0 °C(Predicted) | [density ]
1.11±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
powder | [pka]
-0.58±0.13(Predicted) | [Appearance]
Yellow to brown Solid | [InChI]
InChI=1S/C6H4N2/c1-2-6-7-4-3-5-8-6/h1,3-5H | [InChIKey]
BMNUHRHTDNKJII-UHFFFAOYSA-N | [SMILES]
C1(C#C)=NC=CC=N1 |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 2-ethynylpyrimidine from the compound (CAS: 193631-86-6): 1 M TBAF (18.5 mL, 18.5 mmol) was added to 3 mL (3.2 g, 18.5 mmol) of a 10 mL solution of THF, and the reaction was carried out for 3 min. Monitoring by TLC showed complete consumption of the feedstock. Subsequently, the reaction mixture was concentrated under vacuum. The crude product was purified by silica gel column chromatography to afford the target product 4 (1.3 g, yield: 68.8%).LCMS analysis showed m/z of 105 ([M + H]+). | [References]
[1] Patent: WO2017/173604, 2017, A1. Location in patent: Page/Page column 17; 18
[2] Patent: WO2017/117708, 2017, A1. Location in patent: Page/Page column 18
[3] Carbohydrate Research, 2011, vol. 346, # 9, p. 1083 - 1092 |
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