Lot numbers can be found on the outside label of a product:
7-Bromo-3,4-dihydroisoquinolin-1(2H)-one
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CAS No. 891782-60-8
- Cat. No. CS-D0454
- Purity≥97%
- MDL No.MFCD08437642
*For research and further manufacturing use only, not for direct human use.
Structure of 891782-60-8
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General Information
- CAS No. 891782-60-8
- Cat. No. CS-D0454
- Purity ≥97%
- MDL No. MFCD08437642
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₈BrNO
- Molecular Weight 226.07
- Synonym(s) 1(2H)-Isoquinolinone,7-bromo-3,4-dihydro-
- SMILES O=C1NCCC2=C1C=C(Br)C=C2
Description
7-Bromo-3,4-dihydroisoquinolin-1(2H)-one features a brominated isoquinolinone core with enhanced electrophilicity at the carbonyl position, enabling efficient coupling reactions. The fused ring system imparts rigidity and planarity, while the bromine substituent facilitates late-stage functionalization via cross-coupling. This bench-stable scaffold is well-suited for medicinal chemistry applications requiring targeted structural diversity.
Application
7-Bromo-3,4-dihydroisoquinolin-1(2H)-one serves as a versatile building block for medicinal chemistry and heterocyclic synthesis. Its bromine substituent enables palladium-catalyzed cross-coupling reactions, while the lactam functionality offers predictable reactivity in functional group manipulations. The compound exhibits good bench stability and facilitates efficient incorporation into complex scaffolds via standard coupling and reduction protocols.
Synthesis
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Route1
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In-stock
66491-03-0 - ~64%
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In-stock
891782-60-8
References
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GLAXO GROUP LIMITED Patent: WO2007/122258 A1, 2007 ; Location in patent: Page/Page column 76 ;
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Route2
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In-stock
14548-39-1 - ~59%
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In-stock
891782-60-8
References
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Bristol-Myers Squibb Company Patent: US2010/160303 A1, 2010 ; Location in patent: Page/Page column 36 ; US 20100160303 A1
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Route3
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305447-65-8 - ~93%
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In-stock
891782-60-8
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
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 29.1
- LogP 1.735
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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