Lot numbers can be found on the outside label of a product:
2-(4-Methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane
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CAS No. 213596-33-9
- Cat. No. CS-0175747
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 213596-33-9
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General Information
- CAS No. 213596-33-9
- Cat. No. CS-0175747
- Purity ≥97%
- MDL No. None
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₁₇BO₃
- Molecular Weight 220.07
- Synonym(s) 4-methoxyphenylboronic acid neopentyl glycol ester
- SMILES CC1(COB(OC1)C2=CC=C(OC)C=C2)C
Description
This boronate moiety integrates a methoxy-substituted phenyl group with a sterically shielded dioxaborinane core, delivering enhanced stability and moisture tolerance. It enables efficient cross-coupling under standard conditions, streamlining the synthesis of complex aryl architectures in medicinal chemistry and materials science workflows.
Application
2-(4-Methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane serves as a stable, bench-ready boron building block for Suzuki-Miyaura cross-coupling reactions. Its ortho-dioxaborinane core enhances reactivity while maintaining excellent shelf stability and tolerance to common functional groups. The 4-methoxyphenyl moiety provides a readily accessible aryl handle for constructing biaryl architectures in medicinal chemistry and materials science applications.
Synthesis
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Route1
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104-92-7 -
668987-38-0
- ~94%
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In-stock
213596-33-9
References
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WO2009/137322 A2, ; Page/Page column 20; 26 ;
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Route2
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In-stock
696-62-8 -
668987-38-0
- ~99%
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In-stock
213596-33-9
References
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WO2009/137322 A2, ; Page/Page column 20; 26 ;
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Route3
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In-stock
696-62-8
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126-30-7
- ~10%
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In-stock
213596-33-9
References
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Tetrahedron, , vol. 67, # 3 p. 576 - 583
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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-H312-H332
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501
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Quality Control
Computational Chemistry Data
- TPSA 27.69
- LogP 1.4634
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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