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| | 4-Isopropylbenzeneboronic acid Basic information |
| | 4-Isopropylbenzeneboronic acid Chemical Properties |
| Melting point | 110-112°C | | Boiling point | 285.9±33.0 °C(Predicted) | | density | 1.04±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 | 8.83±0.10(Predicted) | | color | White to Light yellow | | BRN | 2830262 | | InChI | InChI=1S/C9H13BO2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7,11-12H,1-2H3 | | InChIKey | IAEUFBDMVKQCLU-UHFFFAOYSA-N | | SMILES | B(C1=CC=C(C(C)C)C=C1)(O)O | | CAS DataBase Reference | 16152-51-5(CAS DataBase Reference) |
| Hazard Codes | Xi,Xn | | Risk Statements | 36/37/38-43-22 | | Safety Statements | 26-36/37/39-36/37-36 | | WGK Germany | WGK 3 | | HazardClass | IRRITANT | | HS Code | 29163990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Irrit. 2 |
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ALFA
| English |
| | 4-Isopropylbenzeneboronic acid Usage And Synthesis |
| Chemical Properties | White powder | | Uses | 4-Isopropylbenzeneboronic acid is used as a reactant for the preparation of furan-2-carbohydrazides as orally active glucagon receptor antagonists. | | Uses | suzuki reaction | | Synthesis | The general procedure for the synthesis of 4-isopropylphenylboronic acid from 4-isopropylaniline and pinacol ester of bis(pinacolato)diboron was as follows: to a stirred solution of 4-isopropylaniline (1 g, 7.4 mmol) in acetonitrile (30 mL) was added drop-wise isopentyl nitrite (1.3 mL, 11.1 mmol) and bis(pinacolato)diboron (2.24 g, 8.8 mmol) at 0 °C. The reaction mixture was warmed to 80 °C and stirred continuously for 2 hours. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure and the resulting crude product was purified by silica gel column chromatography (combiflash) using 4% ethyl acetate/hexane as eluent to give 4-isopropylphenylboronic acid as a brown solid (1.2 g, 99.8% yield). The product was characterized by 1H NMR (400 MHz, CDCl3): δ 7.74 (d, J = 8.0 Hz, 2H), 7.24 (d, J = 8.4 Hz, 2H), 2.93-2.87 (m, 1H), 1.33 (s, 12H), 1.25 (d, J = 7.2 Hz, 6H). | | References | [1] Patent: WO2015/105786, 2015, A1. Location in patent: Page/Page column 13
[2] Patent: US2017/29420, 2017, A1. Location in patent: Paragraph 0045 |
| | 4-Isopropylbenzeneboronic acid Preparation Products And Raw materials |
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