5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole
![5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole Structure](CAS2/GIF/936902-12-4.gif)
- CAS No.
- 936902-12-4
- Chemical Name:
- 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole
- Synonyms
- Benzoxazole-5-boronic Acid Pinacol Ester;Benzooxazole-5-boronic acid pinacol ester;Benzo[d]oxazole-5-boronic acid pinacol ester;benzo[d]oxazol-5-ylboronic acid pinacol ester;Benzooxazole-5-boronic acid pinacol ester 97%;1,3-Benzoxazole-5-boronic acid, pinacol ester;Benzoxazole, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-;5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazo...;5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
- CBNumber:
- CB32513545
- Molecular Formula:
- C13H16BNO3
- Molecular Weight:
- 245.08
- MDL Number:
- MFCD13181968
- MOL File:
- 936902-12-4.mol
- MSDS File:
- SDS
| Product description | Number | Pack Size | Price |
| Benzooxazole-5-boronic acid pinacol ester 97% | 741450 | 250mg | $76.4 |
| Benzooxazole-5-boronic acid pinacol ester 97% | 741450 | 1g | $234 |
| 1,3-Benzoxazole-5-boronic acid, pinacol ester 97% | OR61115 | 100mg | $21 |
| 1,3-Benzoxazole-5-boronic acid, pinacol ester 97% | OR61115 | 250mg | $22 |
| 1,3-Benzoxazole-5-boronic acid, pinacol ester 97% | OR61115 | 1g | $67 |
| More product size | |||
| 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 |
| UNSPSC Code | 12352103 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302+H312+H332 |
| Precautionary statements | P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312 |
| 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 price More Price(42)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 741450 | Benzooxazole-5-boronic acid pinacol ester 97% | 936902-12-4 | 250mg | $76.4 | 2023-06-20 | Buy |
| Sigma-Aldrich | 741450 | Benzooxazole-5-boronic acid pinacol ester 97% | 936902-12-4 | 1g | $234 | 2023-06-20 | Buy |
| Apolloscientific | OR61115 | 1,3-Benzoxazole-5-boronic acid, pinacol ester 97% | 936902-12-4 | 100mg | $21 | 2026-06-04 | Buy |
| Apolloscientific | OR61115 | 1,3-Benzoxazole-5-boronic acid, pinacol ester 97% | 936902-12-4 | 250mg | $22 | 2026-06-04 | Buy |
| Apolloscientific | OR61115 | 1,3-Benzoxazole-5-boronic acid, pinacol ester 97% | 936902-12-4 | 1g | $67 | 2026-06-04 | Buy |
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole Chemical Properties,Uses,Production
Synthesis
132244-31-6
73183-34-3
![5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole](/CAS2/GIF/936902-12-4.gif)
936902-12-4
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
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Capot Chemical Co.,Ltd. | +86-（0）57185586718 +86-13336195806 | sales@capot.com | China | 29640 | 60 |
| Accela ChemBio Inc. | +1-858-6993322 | info@accelachem.com | United States | 21193 | 58 |
| Career Henan Chemica Co | +86-0371-86658258 +8613203830695 | laboratory@coreychem.com | China | 30225 | 58 |
| Zhejiang J&C Biological Technology Co.,Limited | +1-2135480471 +1-2135480471; | sales@sarms4muscle.com | China | 10473 | 58 |
| Hefei TNJ Chemical Industry Co.,Ltd. | +86-0551-65418684 +8618949823763 | sales@tnjchem.com | China | 25356 | 58 |
| Aromsyn Co., Ltd. | +86-0571-85585865 +8613336024896 | CB@aromsyn.com | China | 19183 | 58 |
| Shanghai Scochem Technology Co., Ltd | +86-021-33758897 +86-13701882790 | sales@scochem.com | China | 1977 | 58 |
| Aladdin Scientific | tp@aladdinsci.com | United States | 52923 | 58 | |
| Zjartspharm Co., Ltd | +8615068876005 | jocelynpan@zjarts.com | China | 9961 | 58 |
| Amadis Chemical Company Limited | 571-89925085 | sales@amadischem.com | China | 131957 | 58 |
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