4-PHENOXYPHENYLBORONIC ACID
- CAS NO.:51067-38-0
- Empirical Formula: C12H11BO3
- Molecular Weight: 214.02
- MDL number: MFCD00093312
- EINECS: 251-228-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-21 22:41:43
What is 4-PHENOXYPHENYLBORONIC ACID?
Chemical properties
white to off-white powder and chunk
The Uses of 4-PHENOXYPHENYLBORONIC ACID
4-Phenoxyphenylboronic acid can be used as a reactant:
- In the Suzuki-Miyaura coupling reaction to synthesize aryl derivatives via C-C bond formation by reacting with different aryl halides over a palladium catalyst.
- To prepare 1-phenoxy-4-(trifluoromethyl)benzene via oxidative trifluoromethylation using Chan-Lam-type reaction conditions.
- To synthesize evobrutinib, a potent Bruton′s tyrosine kinase (BTK) inhibitor.
The Uses of 4-PHENOXYPHENYLBORONIC ACID
suzuki reaction
The Uses of 4-PHENOXYPHENYLBORONIC ACID
4-Phenoxybenzeneboronic Acid is an intermediate used to prepare biphenyl derivatives of nitotrifluoromethoxybenzyloxydihydroimidazooxazines with antitubercular activity. It is also used in the synthesis of pyrrolo pyrimidines as potent inhibitors of Lck kinase.
Synthesis
4-Bromodiphenyl ether (100 g, 0.402 mol)Was dissolved in anhydrous THF (800 mL)Under nitrogen protection,Cooled to -78 ° C,N-butyllithium (n-BuLi) (177 mL, 0.442 mol)The temperature is kept below -65 ° C,After stirring for 1 h,Continue to maintain the temperature -60 ,Triisopropyl borate (90 g, 0.482 mol) was added dropwise,Slowly rose to 0 ° C, stir for 3 h.Water (300 mL) was added under ice bath overnight. The reaction solution was concentrated to remove the organic phase,With 12N concentrated hydrochloric acid pH adjusted to 1 ~ 2,Precipitation of solids,Filtration and drying gave 4-phenoxyphenylboronic acid (77 g, yield 90%).
Properties of 4-PHENOXYPHENYLBORONIC ACID
Melting point: | 141-145 °C(lit.) |
Boiling point: | 377.0±44.0 °C(Predicted) |
Density | 1.23±0.1 g/cm3(Predicted) |
storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
solubility | soluble in Methanol |
form | Crystalline Powder |
pka | 8.76±0.10(Predicted) |
color | White to beige |
InChI | InChI=1S/C12H11BO3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9,14-15H |
CAS DataBase Reference | 51067-38-0(CAS DataBase Reference) |
Safety information for 4-PHENOXYPHENYLBORONIC ACID
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 4-PHENOXYPHENYLBORONIC ACID
InChIKey | KFXUHRXGLWUOJT-UHFFFAOYSA-N |
SMILES | B(C1=CC=C(OC2=CC=CC=C2)C=C1)(O)O |
Abamectin manufacturer
Rivashaa Agrotech Biopharma Pvt. Ltd.
Denisco Chemicals Pvt Ltd
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