Lot numbers can be found on the outside label of a product:
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-ethanol
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CAS No. 1040377-08-9
- Cat. No. CS-D1545
- Purity≥97%
- MDL No.MFCD12033564
*For research and further manufacturing use only, not for direct human use.
Structure of 1040377-08-9
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General Information
- CAS No. 1040377-08-9
- Cat. No. CS-D1545
- Purity ≥97%
- MDL No. MFCD12033564
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₁₉BN₂O₃
- Molecular Weight 238.09
- Synonym(s) 2-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethanol; 2-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)pyrazol-1-yl]ethanol; 2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)ethanol
- SMILES OCCN1N=CC(B2OC(C)(C)C(C)(C)O2)=C1
Description
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-ethanol is a bench-stable boronate ester featuring a pyrazole core linked to a terminal ethanol group. This structure enables efficient Suzuki-Miyaura coupling reactions under mild conditions. The tetramethyl-substituted dioxaborolane moiety enhances stability and reactivity, while the polar hydroxyl group improves solubility in common organic solvents. Ideal for constructing complex heterocyclic architectures in medicinal chemistry and materials science.
Application
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-ethanol serves as a versatile boronate building block for Suzuki-Miyaura cross-coupling reactions. The pyrazole core provides robust heterocyclic functionality with good metabolic stability, while the pendant ethanol group offers handle for further derivatization. Bench-stable and compatible with a broad range of reaction conditions, it facilitates efficient assembly of complex molecular architectures in medicinal chemistry and materials science applications.
Synthesis
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Route1
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96-49-1 -
In-stock
269410-08-4 - ~89%
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In-stock
1040377-08-9
References
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GLAXOSMITHKLINE LLC; DEMONT, Emmanuel, Hubert; GARTON, Neil, Stuart; GOSMINI, Romain, Luc, Marie; HAYHOW, Thomas, George, Christopher; SEAL, Jonathan; WILSON, David, Matthew; WOODROW, Michael, David Patent: WO2011/54841 A1, 2011 ; Location in patent: Page/Page column 107 ;
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References
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XCOVERY, INC. Patent: WO2008/88881 A1, 2008 ; Location in patent: Page/Page column 47 ; WO 2008/088881 A1
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Route3
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In-stock
269410-08-4
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540-51-2
- ~64%
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In-stock
1040377-08-9
References
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ALMIRALL, S.A.; ERRA SOLA, Montserrat; CARRASCAL RIERA, Marta; TALTAVULL MOLL, Joan; CATURLA JAVALOYES, Juan Francisco; BERNAL ANCHUELA, Francisco Javier; PAGES SANTACANA, Lluis Miquel; MIR CEPEDA, Marta; CASALS COLL, Gaspar; HERNANDEZ OLASAGARRE, Maria Begoña Patent: WO2014/60432 A1, 2014 ; Location in patent: Page/Page column 129 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 56.51
- LogP 0.1746
- H_Acceptors 5
- H_Donors 1
- Rotatable_Bonds 3
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Key Words
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