Boronic acid, B-(1,3,5-trimethyl-1H-pyrazol-4-yl)-
- Product Name
- Boronic acid, B-(1,3,5-trimethyl-1H-pyrazol-4-yl)-
- CAS No.
- 847818-62-6
- Chemical Name
- Boronic acid, B-(1,3,5-trimethyl-1H-pyrazol-4-yl)-
- Synonyms
- 1,3,5-trimethypyrazole-4-boronic acid;1,3,5-Trimethylpyrazole-4-boronic acid;(1,3,5-Trimethylpyrazol-4-yl)boronic Acid;1,3,5-Trimethyl-1H-pyrazol-4-ylboronic acid;Boronic acid, B-(1,3,5-trimethyl-1H-pyrazol-4-;Boronic acid, B-(1,3,5-trimethyl-1H-pyrazol-4-yl)-
- CBNumber
- CB31858256
- Molecular Formula
- C6H11BN2O2
- Formula Weight
- 153.97
- MOL File
- 847818-62-6.mol
Boronic acid, B-(1,3,5-trimethyl-1H-pyrazol-4-yl)- Property
- Boiling point:
- 326.0±52.0 °C(Predicted)
- Density
- 1.15±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Store in freezer, under -20°C
- form
- solid
- pka
- 7.92±0.58(Predicted)
- Appearance
- White to off-white Solid
Safety
- HS Code
- 2933199090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P321Specific treatment (see … on this label).
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
N-Bromosuccinimide Price
- Product number
- T796685
- Product name
- (1,3,5-Trimethylpyrazol-4-yl)boronicAcid
- Packaging
- 10g
- Price
- $1540
- Updated
- 2021/12/16
- Product number
- 62432
- Product name
- (1,3,5-Trimethylpyrazol-4-yl)boronicAcid
- Packaging
- 10g
- Price
- $2400
- Updated
- 2021/12/16
- Product number
- 62432
- Product name
- (1,3,5-Trimethylpyrazol-4-yl)boronicAcid
- Packaging
- 1g
- Price
- $675
- Updated
- 2021/12/16
- Product number
- BOR0005974
- Product name
- (1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BORONIC ACID
- Purity
- 95.00%
- Packaging
- 1G
- Price
- $405.3
- Updated
- 2021/12/16
- Product number
- 096408
- Product name
- (1,3,5-Trimethyl-1H-pyrazol-4-yl)boronic acid
- Purity
- 95+%
- Packaging
- 5g
- Price
- $455
- Updated
- 2021/12/16
Boronic acid, B-(1,3,5-trimethyl-1H-pyrazol-4-yl)- Chemical Properties,Usage,Production
Uses
(1,3,5-Trimethylpyrazol-4-yl)boronic Acid is an intermediate used in the synthesis of potent and selective phosphodiesterase 10A inhibitor.
Uses
Boronic acid, B-(1,3,5-trimethyl-1H-pyrazol-4-yl)- is an intermediate used in the synthesis of potent and selective phosphodiesterase 10A inhibitor.
Synthesis
15801-69-1
847818-62-6
The general procedure for the synthesis of (1,3,5-trimethyl-1H-pyrazol-4-yl)boronic acid from 4-bromo-1,3,5-trimethylpyrazole was as follows: to a dry flask was added 300 mg (1.59 mmol) of 4-bromo-1,3,5-trimethylpyrazole and 4.0 mL of THF. The mixture was cooled to -78°C, and 1 equivalent of n BuLi (1.6 M in hexane). After stirring the reaction mixture for 1.5 hours, 0.19 mL (1.08 equiv) of trimethyl borate was added. Stirring was continued for 2 hr while allowing the reaction bath temperature to slowly increase to -10°C. Subsequently, 1.5 mL of 5N HCl was added and stirring was continued for 30 min. Upon completion of the reaction, the aqueous layer was extracted three times with ethyl acetate. The organic phases were combined, dried with anhydrous MgSO4, filtered and concentrated under reduced pressure to an oil. The oil was dissolved in a solvent mixture of methanol/dichloromethane and concentrated again under reduced pressure. The residue was ground with acetone/ethyl acetate mixed solvent and filtered to give (1,3,5-trimethyl-1H-pyrazol-4-yl)boronic acid as a white solid in a yield of 92.1 mg (37.6% yield).1H-NMR (DMSO-d6) δ: 5.92 (s, 1H), 3.72 (s, 3H), 2.34 (s, 3H), 2.26 (s, 3H ) ppm.
References
[1] Patent: WO2006/102194, 2006, A1. Location in patent: Page/Page column 95
[2] Journal of Heterocyclic Chemistry, 2004, vol. 41, # 6, p. 931 - 939
Boronic acid, B-(1,3,5-trimethyl-1H-pyrazol-4-yl)- Preparation Products And Raw materials
Raw materials
Preparation Products
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