ChemicalBook > CAS DataBase List > 1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester

1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester

Product Name
1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester
CAS No.
761446-45-1
Chemical Name
1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester
Synonyms
1-Benzyl-1H-pyrazole-4-boronic acid pinacol;1-Benzylpyrazole-4-boronic acid pinacol ester;1-BENZYL- 4-PYRAZOLEBORONIC ACID PINACOL ESTER;1-Benzyl-1H-pyrazole-4-boronic acid picol ester;1-BENZYL-4-1H-PYRAZOLEBORONIC ACID, PINACOL ESTER;1-BENZYL-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER;1-BENZYLPYRAZOLE-4-BORONIC ACID PINACOL ESTER, 95%;1-Benzyl-1H-pyrazol-4-ylboronic acid, pinacol ester;1-benzyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CBNumber
CB3377967
Molecular Formula
C16H21BN2O2
Formula Weight
284.16
MOL File
761446-45-1.mol
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1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester Property

Melting point:
86-90 °C(lit.)
Boiling point:
427.9±28.0 °C(Predicted)
Density 
1.07±0.1 g/cm3(Predicted)
storage temp. 
Keep in dark place,Sealed in dry,Room Temperature
solubility 
soluble in Methanol
pka
1.85±0.10(Predicted)
form 
solid
color 
white to yellow
Water Solubility 
Insoluble
InChIKey
ZVPORPUUZXIPEF-UHFFFAOYSA-N
CAS DataBase Reference
761446-45-1(CAS DataBase Reference)
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38-23-22
Safety Statements 
22-24/25-37/39-26-36/37/38
WGK Germany 
3
Hazard Note 
Irritant
TSCA 
No
HS Code 
29331990
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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

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
636002
Product name
1-Benzylpyrazole-4-boronic acid pinacol ester
Purity
95%
Packaging
1g
Price
$43
Updated
2023/06/20
Sigma-Aldrich
Product number
636002
Product name
1-Benzylpyrazole-4-boronic acid pinacol ester
Purity
95%
Packaging
5g
Price
$99
Updated
2023/06/20
TCI Chemical
Product number
B4364
Product name
1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Purity
>98.0%(GC)
Packaging
1g
Price
$68
Updated
2025/07/31
TCI Chemical
Product number
B4364
Product name
1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Purity
>98.0%(GC)
Packaging
5g
Price
$272
Updated
2025/07/31
TRC
Product number
B288768
Product name
1-Benzylpyrazole-4-boronic acid pinacol ester
Packaging
250mg
Price
$55
Updated
2021/12/16
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1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester Chemical Properties,Usage,Production

Chemical Properties

off-white to light yellow crystals or

Uses

1-Benzylpyrazole-4-boronic acid pinacol ester can be used:

  • As a model compound in the study of the stability of boronate esters in different alcohols using the LCMS technique.
  • As a substrate in the study of palladium-catalyzed methylation of heteroaryl boronate esters using iodomethane.
  • As a substrate in the preparation of bromodifluoromethylthiolated arenes, applicable in the radiosynthesis of [18F]ArylSCF3 compounds.

Synthesis

269410-08-4

100-39-0

761446-45-1

GENERAL STEPS: 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole (3.0 g, 15.5 mmol) was mixed with bromomethylbenzene (3.2 g, 18.7 mmol) in a solution of DMF (30 mL) containing K2CO3 (4.3 g, 31.2 mmol) and stirred at room temperature overnight. After completion of the reaction, the reaction mixture was diluted with EtOAc (50 mL) and H2O (50 mL), the organic layer was separated and washed with brine (50 mL). The organic layer was dried over Na2SO4, filtered and concentrated in vacuum. The residue was purified by silica gel column chromatography using PE/EtOAc (5:1) as eluent to afford the target compound 1-benzyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole (3.5 g, 12.3 mmol) as a light yellow solid in 79% yield.1H NMR (400 MHz. CDCl3): δ 7.81 (s, 1H), 7.66 (s, 1H), 7.37-7.29 (m, 3H), 7.24-7.22 (m, 2H), 5.30 (s, 2H), 1.29 (s, 12H). lcms (M + H) + 285.

References

[1] Patent: US2018/296543, 2018, A1. Location in patent: Paragraph 0573; 0574; 0600
[2] Patent: WO2015/95767, 2015, A1. Location in patent: Page/Page column 284; 285
[3] Patent: WO2016/124508, 2016, A1. Location in patent: Page/Page column 55
[4] Journal of Medicinal Chemistry, 2016, vol. 59, # 4, p. 1370 - 1387
[5] Patent: WO2014/60395, 2014, A1. Location in patent: Page/Page column 35

1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester Preparation Products And Raw materials

Raw materials

Preparation Products

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1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester Suppliers

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View Lastest Price from 1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester manufacturers

Hubei Lidu New Material Technology Co., Ltd
Product
1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester 761446-45-1
Price
US $0.00-0.00/g
Min. Order
1g
Purity
97%
Supply Ability
20 tons
Release date
2025-07-24
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
Product
1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester 761446-45-1
Price
US $3.00-9.00/KG
Min. Order
0.1KG
Purity
99%
Supply Ability
g-kg-tons, free sample is available
Release date
2025-07-05
Zhuozhou Wenxi import and Export Co., Ltd
Product
1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester 761446-45-1
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-07-10

761446-45-1, 1-Benzyl-1H-pyrazole-4-boronic acid pinacol esterRelated Search:

Benzyl benzoate Benzyltrimethylammonium chloride Benzyl butyrate Benzyl bromide Benzyl chloride Pinacol Benzyl acetate Benzyl alcohol Benzoyl peroxide Pyrazole N,N-Dimethylbenzylamine Benzylboronic acid 2,2,4-Trimethyl-1,3-pentanediol monoisobutyrate Benzyltriethylammonium chloride DIBENZYLTOLUENE Phenylacetone 1-Methyl-4-pyrazole boronic acid pinacol ester Benzyl

  • 1-BENZYL- 4-PYRAZOLEBORONIC ACID PINACOL ESTER
  • 1-Benzyl-4-pyrazole boronic acid pinacol ester, 1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
  • 1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole,97%
  • 1-benzyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyra
  • 1H-Pyrazole, 1-(phenylMethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-
  • 1-(PhenylMethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
  • 1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, {[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl}benzene
  • 1-benzyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
  • 1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
  • 1-Benzyl-1H-pyrazole-4-boronic acid pinacol
  • 3-hydroxy-2,3-dimethylbutan-2-yl hydrogen (1-benzyl-1H-pyrazol-4-yl)boronate
  • 1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester 1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
  • 1-BENZYL-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER
  • 1-BENZYL-4-1H-PYRAZOLEBORONIC ACID, PINACOL ESTER
  • 1-BENZYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
  • 1-Benzyl-1H-pyrazole-4-boronic acid picol ester
  • 1-Benzyl-1H-pyrazol-4-ylboronic acid, pinacol ester
  • 1-BENZYLPYRAZOLE-4-BORONIC ACID PINACOL ESTER, 95%
  • 1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole &gt
  • 2-(1-Benzyl-4-pyrazolyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • 1-(Phenylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole - [P10046]
  • 1-Benzylpyrazole-4-boronic acid pinacol ester
  • 761446-45-1
  • C16H21BN2O2
  • API intermediates