| Identification | More | [Name]
4-tert-Butylphenylboronic acid | [CAS]
123324-71-0 | [Synonyms]
4-T-BUTYLPHENYLBORONIC ACID
4-TERT-BUTYLBENZENEBORONIC ACID
4-TERT-BUTYLPHENYLBORONIC ACID
AKOS BRN-0058
P-T-BUTYLPHENYLBORONIC ACID
RARECHEM AH PB 0112
4-Tert-ButylphenylboronicAcid97+%
4-TERT-BUTYLBENZENEBORONIC ACID 97%
4-tert-Butylphenylboronic Acid (contains varying amounts of Anhydride) | [EINECS(EC#)]
602-928-7 | [Molecular Formula]
C10H15BO2 | [MDL Number]
MFCD01009697 | [Molecular Weight]
178.04 | [MOL File]
123324-71-0.mol |
| Chemical Properties | Back Directory | [Appearance]
white to off-white crystalline powder | [Melting point ]
191-196 °C (lit.) | [Boiling point ]
296.7±33.0 °C(Predicted) | [density ]
1.02±0.1 g/cm3(Predicted) | [storage temp. ]
0-6°C | [solubility ]
soluble in Methanol | [form ]
Crystalline Powder | [pka]
8.79±0.10(Predicted) | [color ]
White to off-white | [BRN ]
5330959 | [InChI]
InChI=1S/C10H15BO2/c1-10(2,3)8-4-6-9(7-5-8)11(12)13/h4-7,12-13H,1-3H3 | [InChIKey]
MNJYZNVROSZZQC-UHFFFAOYSA-N | [SMILES]
B(C1=CC=C(C(C)(C)C)C=C1)(O)O | [CAS DataBase Reference]
123324-71-0(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
white to off-white crystalline powder | [Uses]
Cross-coupling building block used in synthesis of tetracycline derivatives. | [Uses]
4-t-Butylphenylboronic acid is a cross-coupling building block used in the preparation of tetracyclnes and tetracycline derivatives. | [Uses]
suzuki reaction | [Synthesis]
4-tert-butylbromobenzene was used as starting material and 4-tert-butylphenylboronic acid (4b) was synthesized according to the method described in literature [22] in 72.8% reaction yield. The resulting product was a white solid with a melting point of 158-160 °C (literature value: 160 °C). The structure of the product was confirmed by 1H NMR spectrum (CD3Cl as solvent, 300 MHz): δ 8.17 (d, 2H, J = 6.6 Hz), 7.42-7.54 (m, 2H), 1.38 (s, 9H). | [References]
[1] Tetrahedron Letters, 2003, vol. 44, # 30, p. 5747 - 5750
[2] Macromolecules, 2003, vol. 36, # 7, p. 2327 - 2332
[3] Organic and Biomolecular Chemistry, 2012, vol. 10, # 33, p. 6693 - 6704
[4] Dyes and Pigments, 2012, vol. 95, # 3, p. 679 - 688
[5] Journal of the Chemical Society. Perkin Transactions 2, 2001, # 11, p. 2166 - 2173 |
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