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Product Name:methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CAS:653589-95-8
Purity:95% (Min,HPLC) Package:100g;1kg;5kg,10kg,25kg,50kg
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| | METHYL 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE Basic information |
| Product Name: | METHYL 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE | | Synonyms: | 3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;METHYL 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE;2-(Methoxycarbonyl)benzeneboronic acid, pinacol ester;N-Methyltetrahydrothiophene-3-amine-1,1-dioxidehydrochloride;Methyl 2-(4;Methyl 2-((4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)Methyl)benzoate;Benzoic acid, 2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, Methyl ester;Methyl 2-((4,4 | | CAS: | 653589-95-8 | | MF: | C14H19BO4 | | MW: | 262.11 | | EINECS: | 600-611-8 | | Product Categories: | Acids and Derivatives;Boron, Nitrile, Thio,& TM-Cpds;blocks;BoronicAcids | | Mol File: | 653589-95-8.mol |  |
| | METHYL 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE Chemical Properties |
| Melting point | 49-51°C | | Boiling point | 363.7±25.0 °C(Predicted) | | density | 1.08±0.1 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | form | powder to lump to clear liquid | | color | White or Colorless to Almost white or Almost colorless | | InChI | 1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-9-7-6-8-10(11)12(16)17-5/h6-9H,1-5H3 | | InChIKey | GWSGJWIUSIAFOP-UHFFFAOYSA-N | | SMILES | B2(OC(C(O2)(C)C)(C)C)c1c(cccc1)C(=O)OC | | CAS DataBase Reference | 653589-95-8(CAS DataBase Reference) |
| Hazard Codes | Xi | | WGK Germany | 3 | | HS Code | 2931900090 | | Storage Class | 11 - Combustible Solids |
| | METHYL 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE Usage And Synthesis |
| Chemical Properties | White powder | | Synthesis | Methyl o-bromobenzoate (2.15 g, 10 mmol), bis(pinacolato)diboron (3.05 g, 12 mmol), potassium acetate (3.92 g, 40 mmol), and [1,1'-bis(diphenylphosphino)ferrocene]palladium dichloride (0.49 g, 0.5 mmol) were sequentially added to 150 mL of dioxane under nitrogen atmosphere. The reaction mixture was heated to 85 °C and the reaction was stirred at this temperature for 12 hours. Upon completion of the reaction, the solvent dioxane was removed by distillation under reduced pressure. The residue was extracted with dichloromethane and the combined organic phases were washed three times with saturated aqueous sodium chloride solution. The organic phases were dried over anhydrous sodium sulfate and the dichloromethane was removed by distillation under reduced pressure to give the crude product. The crude product was purified by column chromatography, and the eluent was a mixed solvent of petroleum ether and dichloromethane (3:1, v/v) to give 2-methoxycarbonylphenylboronic acid pinacol ester as a white solid (1.25 g, 86% yield). The structure of the product was confirmed by 1H NMR, 13C NMR, mass spectrometry (MS) and elemental analysis. | | References | [1] Patent: CN108424344, 2018, A. Location in patent: Paragraph 0062; 0063; 0064; 0074
[2] Patent: KR2015/111106, 2015, A. Location in patent: Paragraph 0383-0386
[3] Patent: KR2016/2328, 2016, A. Location in patent: Paragraph 0589-0591
[4] Patent: KR2017/139895, 2017, A. Location in patent: Paragraph 0395; 0414-0419
[5] Green Chemistry, 2012, vol. 14, # 3, p. 661 - 667 |
| | METHYL 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE Preparation Products And Raw materials |
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