| Identification | More | [Name]
4-METHOXY-2-METHYLPHENYLBORONIC ACID | [CAS]
208399-66-0 | [Synonyms]
4-METHOXY-2-METHYLBENZENEBORONIC ACID
4-METHOXY-2-METHYLPHENYLBORONIC ACID
AKOS BRN-0221
2-methyl-4-methoxyphenylboronic acid
4-Methoxy-2-methylphebylboronic acid
4-Methoxy-2-Methylphenylboroni
4-Methoxy-2-methylphenylboronic acid ,98% | [EINECS(EC#)]
681-537-3 | [Molecular Formula]
C8H11BO3 | [MDL Number]
MFCD02684315 | [Molecular Weight]
165.98 | [MOL File]
208399-66-0.mol |
| Chemical Properties | Back Directory | [Melting point ]
169-174 °C (lit.) | [Boiling point ]
327.1±52.0 °C(Predicted) | [density ]
1.14±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
Crystalline Solid | [pka]
9.03±0.58(Predicted) | [color ]
White | [Water Solubility ]
Insoluble in water. | [Detection Methods]
HPLC,NMR | [BRN ]
8111222 | [InChI]
InChI=1S/C8H11BO3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5,10-11H,1-2H3 | [InChIKey]
AMSQNQJCBXQYEX-UHFFFAOYSA-N | [SMILES]
B(C1=CC=C(OC)C=C1C)(O)O | [CAS DataBase Reference]
208399-66-0(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29163990 |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Synthesis]
4-Methoxy-2-methylphenylboronic acid was synthesized as follows: 4-bromo-3-methylanisole (10 g, 0.050 mol) was used as starting material, and reacted with n-butyllithium (24 mL of 2.5 M hexane solution, 0.055 mol) under anhydrous and anaerobic conditions at a low temperature (-78°C) to generate the corresponding aryl lithium intermediate. Subsequently, triisopropyl borate (57.7 mL, 47.02 g, 0.25 mol) was added to the reaction system, slowly warmed to room temperature and stirred overnight. Upon completion of the reaction, the crude product was obtained by acidic hydrolysis treatment and purified to give 5.7 g of 4-methoxy-2-methylphenylboronic acid white solid in 69% yield. The product was characterized by mass spectrometry (ESI), m/z 313 (2M-H2O-H)-. | [References]
[1] Organic Letters, 2001, vol. 3, # 26, p. 4263 - 4265
[2] Patent: US2003/181519, 2003, A1 |
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