Lot numbers can be found on the outside label of a product:
3,3-Dimethylbenzo[c][1,2]oxaborol-1(3H)-ol
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CAS No. 221352-10-9
- Cat. No. CS-0078620
- Purity≥98%
- MDL No.MFCD13180474
*For research and further manufacturing use only, not for direct human use.
![3,3-Dimethylbenzo[c][1,2]oxaborol-1(3H)-ol|CS-0078620](https://file.chemscene.com/productPIC/CS-0078620.gif)
Structure of 221352-10-9
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General Information
- CAS No. 221352-10-9
- Cat. No. CS-0078620
- Purity ≥98%
- MDL No. MFCD13180474
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₁BO₂
- Molecular Weight 161.99
- Synonym(s) 1,3-Dihydro-1-hydroxy-3,3-dimethyl-2,1-benzoxaborole
- SMILES OB1C2=CC=CC=C2C(C)(O1)C
Description
3,3-Dimethylbenzo[c][1,2]oxaborol-1(3H)-ol delivers a stable, bench-ready boronate moiety featuring enhanced steric protection from the 3,3-dimethyl substitution. This structure resists protodeboronation and maintains integrity under standard handling conditions, enabling reliable use in Suzuki-Miyaura couplings and other cross-coupling processes.
Application
3,3-Dimethylbenzo[c][1,2]oxaborol-1(3H)-ol serves as a stable, bench-friendly boron building block for Suzuki-Miyaura cross-coupling reactions. Its sterically protected borole core enhances hydrolytic stability and tolerates a range of functional groups, enabling reliable C–C bond formation under mild conditions. The compound functions as a versatile scaffold in the synthesis of biaryl motifs and complex heterocycles, particularly valuable in medicinal chemistry and process-scale applications where reproducibility and ease of handling are critical.
Synthesis
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Route1
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5419-55-6 -
In-stock
7073-69-0 - ~41%
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In-stock
221352-10-9
References
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Cheung, Wing S.; Parks, Daniel J.; Parsons, William H.; Patel, Sharmila; Player, Mark R. Patent: US2008/146637 A1, 2008 ; Location in patent: Page/Page column 44 ;
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Route2
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In-stock
7073-69-0
- ~80%
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In-stock
221352-10-9
References
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Player, Mark R.; Dax, Scott L.; Parsons, William H.; Brandt, Michael Richard; Calvo, Raul R.; Patel, Sharmila; Liu, Jian; Cheung, Wing S.; Jetter, Michele C.; Lee, Yu-Kai; Youngman, Mark A.; Pan, Wenxi; Weils, Kenneth M.; Beauchamp, Derek A. Patent: US2007/259936 A1, 2007 ; Location in patent: Page/Page column 168 ; US 20070259936 A1
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Route3
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1008106-85-1 -
67-64-1
- ~61%
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In-stock
221352-10-9
References
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Tomsho, John W.; Pal, Arnab; Hall, Dennis G.; Benkovic, Stephen J. ACS Medicinal Chemistry Letters, 2012 , vol. 3, # 1 p. 48 - 52
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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 29.46
- LogP 0.6394
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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