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Product Name:5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole
CAS:936902-12-4
Purity:98%(Min,HPLC) Package:100g;1kg;5kg,10kg,25kg,50kg
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| | 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole Basic information |
| Product Name: | 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole | | Synonyms: | 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole;Benzooxazole-5-boronic acid pinacol ester;1,3-Benzoxazole-5-boronic acid, pinacol ester;5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole;benzo[d]oxazol-5-ylboronic acid pinacol ester;Benzo[d]oxazole-5-boronic acid pinacol ester;Benzooxazole-5-boronic acid pinacol ester 97%;Benzoxazole-5-boronic Acid Pinacol Ester | | CAS: | 936902-12-4 | | MF: | C13H16BNO3 | | MW: | 245.08 | | EINECS: | | | Product Categories: | | | Mol File: | 936902-12-4.mol | ![5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole Structure](CAS2/GIF/936902-12-4.gif) |
| | 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole Chemical Properties |
| Melting point | 88-93°C | | Boiling point | 350.1±15.0 °C(Predicted) | | density | 1.14±0.1 g/cm3(Predicted) | | storage temp. | 2-8°C | | pka | 0.17±0.10(Predicted) | | form | solid | | Appearance | White to yellow Solid | | InChI | 1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)9-5-6-11-10(7-9)15-8-16-11/h5-8H,1-4H3 | | InChIKey | CHLWHHUKKHNQTH-UHFFFAOYSA-N | | SMILES | CC1(C)OB(OC1(C)C)c2ccc3ocnc3c2 |
| Hazard Codes | Xn | | Risk Statements | 20/21/22 | | WGK Germany | 3 | | HS Code | 2934999090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral |
| | 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole Usage And Synthesis |
| Synthesis | 5-Bromobenzoxazole (1 g, 5.05 mmol), pinacol ester of bisboronic acid (1.54 g, 6.06 mmol), potassium acetate (1.49 g, 15.15 mmol) and Pd(dppf)Cl2 (184.76 mg, 0.25 mmol) were used as raw materials, and the above reagents were added to a reaction flask under nitrogen protection, using 1,4-dioxane as solvent. The reaction mixture was stirred at 100 °C for 8 hours. After completion of the reaction, it was cooled to room temperature and the solvent was removed by distillation under reduced pressure. The crude product was purified by column chromatography to afford 1.03 g of the target product benzoxazole-5-boronic acid pinacol ester in white powder form in 83.4% yield. | | References | [1] Journal of Medicinal Chemistry, 2017, vol. 60, # 14, p. 6337 - 6352
[2] Patent: CN108503634, 2018, A. Location in patent: Paragraph 0316; 0317; 0320; 0321
[3] Patent: US2016/318895, 2016, A1. Location in patent: Paragraph 0300
[4] Journal of Medicinal Chemistry, 2018, vol. 61, # 23, p. 10724 - 10738
[5] Patent: WO2011/14795, 2011, A2. Location in patent: Page/Page column 94 |
| | 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole Preparation Products And Raw materials |
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