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| | PHENYL-D5-BORONIC ACID Basic information |
| Product Name: | PHENYL-D5-BORONIC ACID | | Synonyms: | PHENYL-D5-BORONIC ACID;phenyl-d5-boronicacid98atom%d;(Perdeuterophenyl)boronic acid;B-(Phenyl-2,3,4,5,6-d5)boronic acid;2,3,4,5,6-Pentadeuteriumbenzeneboronic Acid;Boronic acid,B-(phenyl-2,3,4,5,6-d5)-;9-bromo-10-(phenyl-d5)anthracene;PHENYL-D5-BORONIC ACID(D, 98%) | | CAS: | 215527-70-1 | | MF: | C6H7BO2 | | MW: | 121.93 | | EINECS: | | | Product Categories: | Boronic Acids;blocks;BoronicAcids;Aryl;Boronic Acids;Boronic Acids and Derivatives | | Mol File: | 215527-70-1.mol |  |
| | PHENYL-D5-BORONIC ACID Chemical Properties |
| Melting point | 217-220 °C(lit.) | | solubility | Chloroform (Slightly), DMSO | | form | solid | | color | White | | Stability: | Hygroscopic | | InChI | InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H | | InChIKey | HXITXNWTGFUOAU-RALIUCGRSA-N | | SMILES | B(C1C([H])=C([H])C([H])=C([H])C=1[H])(O)O | | CAS DataBase Reference | 215527-70-1 |
| Hazard Codes | Xn | | Risk Statements | 22 | | Safety Statements | 36 | | WGK Germany | 3 | | HS Code | 2931900090 |
| | PHENYL-D5-BORONIC ACID Usage And Synthesis |
| Uses | Phenylboronic Acid-d5 is the isotope labelled analog of Phenylboronic Acid; a compound used in the organic synthesis of various pharmaceutical goods. | | Synthesis | A dry three-neck flask equipped with a rubber septum, an addition funnel equipped with a rubber septum, and a condenser was charged under nitrogen with magnesium turnings. To the addition funnel was added D5-bromobenzene (6.5 mL, 62 mmol) (Aldrich) dissolved in a 1:1 mixture of THF/toluene (31 mL). Grignard reagent formation was observed after about after about 1 mL of the contents of the addition funnel had been added to the magnesium turnings. The remaining bromobenzene solution was added dropwise over a period of about 1 h. After the addition was complete the reaction mixture was heated at 70° C. for 1 h. The reaction mixture was cooled to room temperature and added via a canulating needled to an addition funnel on a second three-neck flask containing a solution of triethylborate (B(OEt)3) (10.5 mL, 62 mmol) in toluene (10 mL) maintained at 0° C. The solution of the freshly prepared Grignard reagent was then added dropwise to the solution of triethylborate over a period of 1 h. The cooling bath was then removed and the reaction mixture was allowed to stir at room temperature for 15 h. The reaction mixture was quenched with 10% H2SO4 (30 mL) and stirred at room temperature for 1 h. The layers were separated and the organic layer was dried over Na2SO4. After removal of the solvent, addition of hexane precipitated the product as an off-white solid, which was collected by filtration and dried to afford Phenyl-d5-boronic acid. Its yield: 3.50 g, 45%. |
| | PHENYL-D5-BORONIC ACID Preparation Products And Raw materials |
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