Lot numbers can be found on the outside label of a product:
(4-(Piperazin-1-yl)phenyl)boronic acid
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CAS No. 513246-99-6
- Cat. No. CS-0086803
- Purity≥95%
- MDL No.MFCD09608131
*For research and further manufacturing use only, not for direct human use.
Structure of 513246-99-6
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General Information
- CAS No. 513246-99-6
- Cat. No. CS-0086803
- Purity ≥95%
- MDL No. MFCD09608131
- Storage RT, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₅BN₂O₂
- Molecular Weight 206.05
- Synonym(s) [4-(Piperazin-1-yl)phenyl]boronic acid
- SMILES OB(C1=CC=C(N2CCNCC2)C=C1)O
Description
This boronate moiety integrates a piperazinyl-substituted phenyl group, delivering enhanced solubility and stability under standard conditions. The electron-rich aromatic system facilitates efficient Suzuki-Miyaura coupling, while the pendant piperazine imparts favorable handling characteristics. Ideal for constructing complex biaryl architectures in medicinal chemistry and materials synthesis.
Application
(4-(Piperazin-1-yl)phenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl scaffolds under mild conditions. The piperazine moiety enhances solubility and provides a handle for further functionalization, while the boronic acid group offers excellent stability and compatibility with diverse reaction partners. This compound facilitates rapid access to pharmacologically relevant heterocyclic frameworks and is well-suited for iterative synthesis workflows in medicinal chemistry.
Synthesis
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Route1
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In-stock
38212-33-8 - ~%
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In-stock
513246-99-6
References
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Molander, Gary A.; Cavalcanti, Livia N.; Garcia-Garcia, Carolina Journal of Organic Chemistry, 2013 , vol. 78, # 13 p. 6427 - 6439
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Route2
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352437-09-3 - ~%
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In-stock
513246-99-6
References
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Chen, Cheng-yi; Dagneau, Philippe; Grabowski, Edward J.J.; Oballa, Renata; O'Shea, Paul; Prasit, Peppi; Robichaud, Joel; Tillyer, Rich; Wang, Xin Journal of Organic Chemistry, 2003 , vol. 68, # 7 p. 2633 - 2638
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Route3
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In-stock
457613-78-4 - ~%
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In-stock
513246-99-6
References
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Chen, Cheng-yi; Dagneau, Philippe; Grabowski, Edward J.J.; Oballa, Renata; O'Shea, Paul; Prasit, Peppi; Robichaud, Joel; Tillyer, Rich; Wang, Xin Journal of Organic Chemistry, 2003 , vol. 68, # 7 p. 2633 - 2638
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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-H332-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 55.73
- LogP -1.224
- H_Acceptors 4
- H_Donors 3
- Rotatable_Bonds 2
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Key Words
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