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| | 3-Dimethylaminophenylboronic acid Basic information |
| | 3-Dimethylaminophenylboronic acid Chemical Properties |
| Melting point | 191-193°C | | Boiling point | 344.0±44.0 °C(Predicted) | | density | 1.12±0.1 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | solubility | Chloroform (Slightly), Methanol (Slightly) | | form | Solid | | pka | 8.54±0.10(Predicted) | | color | Pale Green to Pale Grey | | InChI | InChI=1S/C8H12BNO2/c1-10(2)8-5-3-4-7(6-8)9(11)12/h3-6,11-12H,1-2H3 | | InChIKey | YZQQHZXHCXAJAV-UHFFFAOYSA-N | | SMILES | B(C1=CC=CC(N(C)C)=C1)(O)O | | CAS DataBase Reference | 178752-79-9(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26 | | RIDADR | UN 3335 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29319090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| | 3-Dimethylaminophenylboronic acid Usage And Synthesis |
| Chemical Properties | Solid | | Uses | Reactant involved in synthesis of different protein effector including:
- Modulators of survival motor neuron protein
- Glucokinase activators
- Aryl ethers for use as Bacillus anthracis enoyl-ACP reductase inhibitors
Reactant involved in synthesis of:
- Thiourea-functionalized paracyclophanes
- Low-background fluorescent imaging agents for nitric oxide
Reactant to undergo regioselective iodination and bromination | | Uses | 3-Dimethylaminophenylboronic acid, HCl | | General Description | May contain varying amounts of anhydride | | Synthesis | The general procedure for the synthesis of 3-(N,N-dimethylamino)phenylboronic acid from 3-bromo-N,N-dimethylaniline was as follows: 3-bromo-N,N-dimethylaniline (500 mg, 2.50 mmol) was dissolved in tetrahydrofuran (THF, 8 mL) and the solution was cooled to -78 °C. At -78 °C, n-butyllithium (1.6 M in hexane, 1.56 mL, 3.75 mmol) was slowly added dropwise, and after the drop was completed, the reaction mixture continued to be stirred for 5 min by maintaining this temperature. Subsequently, trimethyl borate (1.11 mL, 10.0 mmol) was added and stirred at -78 °C for 1 h, followed by a slow warming to -20 °C over 20 min. 2 M hydrochloric acid (3 mL) was added and after stirring for 5 min, the reaction mixture was neutralized with saturated sodium bicarbonate (NaHCO3) solution. The mixture was extracted with ethyl acetate (3 × 10 mL), the organic phases were combined, and the crude product was concentrated under reduced pressure. Purification by silica gel fast column chromatography with acetone/dichloromethane (1:1, v/v) as eluent gave the target product 3-(N,N-dimethylamino)phenylboronic acid (251 mg, 61% yield). | | References | [1] Patent: US2006/270686, 2006, A1. Location in patent: Page/Page column 26 [2] Patent: WO2008/8059, 2008, A1. Location in patent: Page/Page column 68 [3] Journal of the American Chemical Society, 2012, vol. 134, # 28, p. 11667 - 11673 [4] Organic Letters, 2012, vol. 14, # 18, p. 4814 - 4817,4 |
| | 3-Dimethylaminophenylboronic acid Preparation Products And Raw materials |
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