| Identification | More | [Name]
3-Chloro-4-methylphenylboronic acid | [CAS]
175883-63-3 | [Synonyms]
3-CHLORO-4-METHYLBENZENEBORONIC ACID
3-CHLORO-4-METHYLPHENYLBORONIC ACID
AKOS BRN-0174
3-Chloro-4-Methylphenylboronic
3-CHLORO-4-METHYLPHENYLBORONIC ACID 96%
3-Chloro-4-methylboronic acid | [Molecular Formula]
C7H8BClO2 | [MDL Number]
MFCD04039010 | [Molecular Weight]
170.4 | [MOL File]
175883-63-3.mol |
| Chemical Properties | Back Directory | [Melting point ]
210-216°C | [Boiling point ]
317.3±52.0 °C(Predicted) | [density ]
1.26±0.1 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
soluble in Methanol | [form ]
Crystalline Powder of Flakes | [pka]
7.82±0.10(Predicted) | [color ]
White | [InChI]
1S/C7H8BClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,1H3 | [InChIKey]
YTJUYWRCAZWVSX-UHFFFAOYSA-N | [SMILES]
Cc1ccc(cc1Cl)B(O)O | [CAS DataBase Reference]
175883-63-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [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 .
S36:Wear suitable protective clothing . | [WGK Germany ]
3 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29163990 | [Storage Class]
13 - Non Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Uses]
suzuki reaction | [Synthesis]
GENERAL PROCEDURE: To a tetrahydrofuran (THF, 4 mL) solution of diisopropylaminoborane (DIPAB, 863 mg, 7.5 mmol) and magnesium (Mg, 182 mg, 7.5 mmol) was added a 1 M solution of phenylmagnesium bromide (PhMgBr) THF (375 μL, 375 μmol) at room temperature. After 10 min of reaction, 30 mL of anhydrous THF was added, followed by 4-bromo-2-chlorotoluene (5 mmol). The reaction mixture was cooled to 0 °C and quenched by slowly adding 7 mL of methanol (MeOH). After 1 h of reaction, the volatiles were removed under reduced pressure and the resulting solid was dissolved in a 1 N hydrochloric acid/methanol (7:3, v/v) mixture. After 1 h of reaction at room temperature, 100 mL of ethyl acetate (AcOEt) was added, and the organic phase was washed sequentially with 1N hydrochloric acid (30 mL) and saturated saline (3 x 30 mL). The organic phase was concentrated under reduced pressure to give a solid product, which was finally purified by recrystallization from water (H2O) to give 3-chloro-4-methylphenylboronic acid. | [References]
[1] Tetrahedron, 2019, vol. 75, # 2, p. 164 - 171 |
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