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

Modify Date: 2024-01-09 17:01:11

1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester Structure
1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester structure
Common Name 1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester
CAS Number 761446-45-1 Molecular Weight 284.161
Density 1.1±0.1 g/cm3 Boiling Point 427.9±28.0 °C at 760 mmHg
Molecular Formula C16H21BN2O2 Melting Point 86-91ºC
MSDS N/A Flash Point 212.6±24.0 °C

 Names

Name 1-Benzyl-4-pyrazoleboronic Acid Pinacol Ester
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 427.9±28.0 °C at 760 mmHg
Melting Point 86-91ºC
Molecular Formula C16H21BN2O2
Molecular Weight 284.161
Flash Point 212.6±24.0 °C
Exact Mass 284.169617
PSA 36.28000
LogP 2.23060
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.543
Water Solubility Insoluble

 Safety Information

Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S37/39
WGK Germany 3
HS Code 2934999090

 Synthetic Route

~60%

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

1-Benzyl-1H-pyr...

CAS#:761446-45-1

Literature: Kalypsys, Inc Patent: US8080566 B1, 2011 ; Location in patent: Page/Page column 57 ;

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

1-Benzyl-1H-pyr...

CAS#:761446-45-1

Literature: F. HOFFMANN-LA ROCHE AG; GENENTECH, INC.; BURDICK, Daniel Jon; CHEN, Huifen; WANG, Shumei; WANG, Weiru Patent: WO2014/60395 A1, 2014 ; Location in patent: Page/Page column 35 ;

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

1-Benzyl-1H-pyr...

CAS#:761446-45-1

Literature: Organic and Biomolecular Chemistry, , vol. 9, # 9 p. 3139 - 3141

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

1-Benzyl-1H-pyr...

CAS#:761446-45-1

Literature: US8080566 B1, ;

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

1-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
1H-Pyrazole, 1-(phenylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
MFCD03789252
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