- Pyrimidine-5-carbaldehyde
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- $15.00 / 1KG
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2021-07-13
- CAS:10070-92-5
- Min. Order: 1KG
- Purity: 99%+ HPLC
- Supply Ability: Monthly supply of 1 ton
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| | Pyrimidine-5-carboxaldehyde Basic information |
| | Pyrimidine-5-carboxaldehyde Chemical Properties |
| Melting point | 39-43°C | | Boiling point | 80-82°C 4mm | | density | 1.23 | | storage temp. | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C | | form | solid | | pka | 1.15±0.10(Predicted) | | color | Light yellow to yellow | | InChI | InChI=1S/C5H4N2O/c8-3-5-1-6-4-7-2-5/h1-4H | | InChIKey | FREJAOSUHFGDBW-UHFFFAOYSA-N | | SMILES | C1=NC=C(C=O)C=N1 | | CAS DataBase Reference | 10070-92-5(CAS DataBase Reference) |
| Hazard Codes | Xi,Xn | | Risk Statements | 36/37/38-43-22 | | Safety Statements | 26-36/37/39-36-36/37 | | WGK Germany | WGK 3 | | HazardClass | IRRITANT | | HS Code | 2933599590 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1
STOT SE 3 |
| | Pyrimidine-5-carboxaldehyde Usage And Synthesis |
| Uses | Pyrimidine-5-carboxaldehyde is used in the preparation of (S)- and (R)-pyrimidyl alkanol by reacting with diisopropylzinc and (n-butyl)ethyl(n-hexyl)(n-propyl)methane. | | Synthesis |
Under nitrogen, a solution of 5-bromopyrimidine (1 g, 6.3 mmol) in 60 mL anhydrous THF was added BuLi (2.5 M, 2.6 mL, 6.5 mmol) at -78° C. The resulting yellow solution was stirred for 20 min, after which ethyl formate (0.55 mL, 6.7 mmol) was added dropwise over 5 min. After 20 min, the reaction was quenched with 1.5 M THF/HCl solution (4.5 mL, 6.7 mmol). The cold bath was removed, and the reaction mixture was stirred for 1 h. THF was removed in vacco, 10 mL of water was then added. The mixture was extracted with CHCl3 (2*10 mL), and the combined organics were dried (MgSO4) and concentrated. The crude product was purified via flash column chromatography (5 per cent MeOH/CHCl3) to give 0.35 g (51 per cent) of the titled Pyrimidine-5-carboxaldehyde.
| | References | [1] Journal of medicinal chemistry, 2004, vol. 47, # 20, p. 4829 - 4837
[2] Patent: US2005/70712, 2005, A1. Location in patent: Page/Page column 42
[3] Patent: US2005/171131, 2005, A1. Location in patent: Page/Page column 41
[4] Patent: US9212138, 2015, B2. Location in patent: Page/Page column 42
[5] ChemMedChem, 2017, vol. 12, # 3, p. 257 - 270 |
| | Pyrimidine-5-carboxaldehyde Preparation Products And Raw materials |
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