tert-Butyl 1H-pyrazole-1-carboxylate manufacturers
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| | tert-Butyl 1H-pyrazole-1-carboxylate Basic information |
| | tert-Butyl 1H-pyrazole-1-carboxylate Chemical Properties |
| Boiling point | 161 °C/760 mmHg | | density | 1.036 g/mL at 25 °C | | refractive index | n20/D 1.472 | | storage temp. | 2-8°C | | pka | -1.08±0.12(Predicted) | | form | liquid | | color | colourless | | InChI | 1S/C8H12N2O2/c1-8(2,3)12-7(11)10-6-4-5-9-10/h4-6H,1-3H3 | | InChIKey | BSJFXAFLSWDUPK-UHFFFAOYSA-N | | SMILES | CC(C)(C)OC(=O)n1cccn1 |
| Hazard Codes | Xi,Xn | | Risk Statements | 22 | | Safety Statements | 36-37 | | RIDADR | NA 1993 / PGIII | | WGK Germany | 3 | | HS Code | 29331990 | | Storage Class | 12 - Non Combustible Liquids | | Hazard Classifications | Acute Tox. 4 Oral |
| | tert-Butyl 1H-pyrazole-1-carboxylate Usage And Synthesis |
| Synthesis | GENERAL STEPS: Pyrazole (1 eq.) and triethylamine (1.5 eq.) were dissolved in dichloromethane (for 0.05 mol pyrazole, 50 mL of dichloromethane was used), followed by the addition of di-tert-butyl dicarbonate (1.2 eq.). The reaction mixture was stirred overnight at room temperature. Upon completion of the reaction, the organic phase was washed with saturated NaHCO3 solution (25 mL, against 50 mL of dichloromethane), and then once more with deionized water (25 mL). The organic layer was dried with anhydrous Na2SO4 and subsequently concentrated under reduced pressure to give tert-butyl 1H-pyrazole-1-carboxylate. | | References | [1] Tetrahedron Letters, 2006, vol. 47, # 43, p. 7551 - 7556
[2] Chemistry - A European Journal, 2016, vol. 22, # 28, p. 9687 - 9692
[3] Arkivoc, 2014, vol. 2014, # 6, p. 54 - 71 |
| | tert-Butyl 1H-pyrazole-1-carboxylate Preparation Products And Raw materials |
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