4-(METHOXYCARBONYL)PHENYLBORONIC ACID
Synonym(s):Methyl 4-boronobenzoate;Methyl p-boronobenzoate;(4-Carbomethoxyphenyl)boronic acid;p-(Methoxycarbonyl)boronic acid;p-(Methoxycarbonyl)phenylboronic acid
- CAS NO.：99768-12-4
- Empirical Formula: C8H9BO4
- Molecular Weight: 179.97
- MDL number: MFCD01632203
- EINECS: 619-459-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-04-08 16:27:35
What is 4-(METHOXYCARBONYL)PHENYLBORONIC ACID?
Chemical properties
White to light yellow crystal powde
The Uses of 4-(METHOXYCARBONYL)PHENYLBORONIC ACID
4-(Methoxycarbonyl)phenylboronic Acid is used in the synthesis and evaluation of several organic compounds including that of 4-Cyclohexylbutyl-N-[(S)-2-oxoazetidin-3-yl]carbamate which is a potent inhibitor of intracellular NAAA activity. Also used in the design and synthesis of BMS-955176 which is a potent, orally active second generation HIV-1 maturation inhibitor.
The Uses of 4-(METHOXYCARBONYL)PHENYLBORONIC ACID
4-(Methoxycarbonyl)phenylboronic Acid is a reagent used for• ;Tandem-type Pd(II)-catalyzed oxidative Heck reaction and intramolecular C-H amidation sequence1 • ;Copper-mediated ligandless aerobic fluoroalkylation of arylboronic acids with fluoroalkyl iodides2 • ;One-pot ipso-nitration of arylboronic acids3 • ;Copper-catalyzed nitration4 • ;Cyclocondensation followed by palladium-phosphine-catalyzed Suzuki-Miyaura coupling5 • ;Reagent used in Preparation of• ;Biaryls via nickel-catalyzed Suzuki-Miyaura cross-coupling reaction of aryl halides with arylboronic acid6† • ;Chromenones and their
The Uses of 4-(METHOXYCARBONYL)PHENYLBORONIC ACID
suzuki reaction
Properties of 4-(METHOXYCARBONYL)PHENYLBORONIC ACID
| Melting point: | 197-200 °C (lit.) |
| Boiling point: | 345.8±44.0 °C(Predicted) |
| Density | 1.25±0.1 g/cm3(Predicted) |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | Soluble in methanol. |
| form | powder |
| pka | 7.69±0.10(Predicted) |
| color | white to off-white |
| InChI | InChI=1S/C8H9BO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5,11-12H,1H3 |
| CAS DataBase Reference | 99768-12-4(CAS DataBase Reference) |
Safety information for 4-(METHOXYCARBONYL)PHENYLBORONIC 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-(METHOXYCARBONYL)PHENYLBORONIC ACID
| InChIKey | PQCXFUXRTRESBD-UHFFFAOYSA-N |
| SMILES | C1=CC(C(OC)=O)=CC=C1B(O)O |
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