Lot numbers can be found on the outside label of a product:
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
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CAS No. 376584-30-4
- Cat. No. CS-0062485
- Purity≥97%
- MDL No.MFCD11044671
*For research and further manufacturing use only, not for direct human use.
Structure of 376584-30-4
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General Information
- CAS No. 376584-30-4
- Cat. No. CS-0062485
- Purity ≥97%
- MDL No. MFCD11044671
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₅H₂₀BNO₃
- Molecular Weight 273.14
- Synonym(s) 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-isoquinolin-1-one
- SMILES O=C1NCCC2=C1C=CC(B3OC(C)(C)C(C)(C)O3)=C2
Description
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-1(2H)-one delivers a stable, bench-ready boronate handle integrated into a rigid, electron-deficient isoquinolinone scaffold. This structure enables efficient Suzuki-Miyaura coupling under standard conditions, facilitating rapid construction of complex heterocyclic architectures in medicinal chemistry and materials science applications.
Application
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-1(2H)-one serves as a versatile boronate building block for Suzuki-Miyaura cross-coupling reactions. The dihydroisoquinolinone core provides a rigid, pharmacophoric scaffold with demonstrated utility in medicinal chemistry. The tetramethylborolane moiety ensures excellent stability, ease of handling, and compatibility with diverse reaction conditions, enabling efficient late-stage functionalization in complex molecule synthesis.
Synthesis
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References
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Spicer, Julie A.; Lena, Gersande; Lyons, Dani M.; Huttunen, Kristiina M.; Miller, Christian K.; O'Connor, Patrick D.; Bull, Matthew; Helsby, Nuala; Jamieson, Stephen M. F.; Denny, William A.; Ciccone, Annette; Browne, Kylie A.; Lopez, Jamie A.; Rudd-Schmidt, Jesse; Voskoboinik, Ilia; Trapani, Joseph A. Journal of Medicinal Chemistry, 2013 , vol. 56, # 23 p. 9542 - 9555
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Route2
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In-stock
147497-32-3 - ~94%
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In-stock
376584-30-4
References
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Incyte Corporation; Zhuo, Jincong; Xu, Meizhong; Qian, Ding-Quan Patent: US2014/171405 A1, 2014 ; Location in patent: Page/Page column ;
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Route3
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1279816-33-9 - ~%
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In-stock
376584-30-4
References
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Spicer, Julie A.; Lena, Gersande; Lyons, Dani M.; Huttunen, Kristiina M.; Miller, Christian K.; O'Connor, Patrick D.; Bull, Matthew; Helsby, Nuala; Jamieson, Stephen M. F.; Denny, William A.; Ciccone, Annette; Browne, Kylie A.; Lopez, Jamie A.; Rudd-Schmidt, Jesse; Voskoboinik, Ilia; Trapani, Joseph A. Journal of Medicinal Chemistry, 2013 , vol. 56, # 23 p. 9542 - 9555
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Safety Information
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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 47.56
- LogP 1.2717
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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