| Company Name: |
Alfa Aesar |
| Tel: |
400-6106006 |
| Email: |
saleschina@alfa-asia.com |
| Company Name: |
Energy Chemical |
| Tel: |
400-0056266 |
| Email: |
sales8178@energy-chemical.com |
|
| | 1-Benzyl-4-iodo-1H-pyrazole Basic information |
| | 1-Benzyl-4-iodo-1H-pyrazole Chemical Properties |
| Melting point | 62-66 °C | | Boiling point | 367.1±25.0 °C(Predicted) | | density | 1.67±0.1 g/cm3(Predicted) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | soluble in Methanol | | form | powder to crystal | | pka | 0.11±0.10(Predicted) | | color | White to Orange to Green | | InChI | 1S/C10H9IN2/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2 | | InChIKey | PVEYRBGIYMWFPB-UHFFFAOYSA-N | | SMILES | Ic1cnn(Cc2ccccc2)c1 | | CAS DataBase Reference | 50877-42-4(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38-41-37/38 | | Safety Statements | 26-36-39 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 2933199090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Dam. 1
Skin Irrit. 2
STOT SE 3 |
| | 1-Benzyl-4-iodo-1H-pyrazole Usage And Synthesis |
| Synthesis | Step 1. Synthesis of 1-benzyl-4-iodo-1H-pyrazole; 4-iodo-1H-pyrazole (17 g, 87.63 mmol, 1.00 eq.) was dissolved in N,N-dimethylformamide (150 mL) in a 250 mL round bottom flask. Sodium hydride (3.6 g, 105.00 mmol, 1.20 eq., 70% dispersed in mineral oil) was added in batches at 0 °C. Subsequently, benzyl bromide (16.5 g, 96.49 mmol, 1.10 eq.) was added dropwise at the same temperature. The reaction mixture was slowly warmed to room temperature and stirring was continued for 2 hours. Upon completion of the reaction, the reaction was quenched with an ice-water mixture (200 mL). The reaction mixture was extracted with ethyl acetate (3 x 200 mL). The organic layers were combined, dried over anhydrous sodium sulfate, filtered and concentrated on a rotary evaporator to give 1-benzyl-4-iodo-1H-pyrazole as a yellow solid (22 g, 80% yield). | | References | [1] Organic Letters, 2017, vol. 19, # 19, p. 5114 - 5117
[2] Patent: WO2006/84338, 2006, A1. Location in patent: Page/Page column 63
[3] Patent: US8080566, 2011, B1. Location in patent: Page/Page column 56-57
[4] Patent: WO2016/615, 2016, A1. Location in patent: Paragraph 00555
[5] Patent: WO2014/128465, 2014, A1. Location in patent: Page/Page column 160; 161 |
| | 1-Benzyl-4-iodo-1H-pyrazole Preparation Products And Raw materials |
|