Lot numbers can be found on the outside label of a product:
5-Bromo-2-methylisoindolin-1-one
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CAS No. 868066-91-5
- Cat. No. CS-W022312
- Purity≥95%
- MDL No.MFCD12755780
*For research and further manufacturing use only, not for direct human use.
Structure of 868066-91-5
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General Information
- CAS No. 868066-91-5
- Cat. No. CS-W022312
- Purity ≥95%
- MDL No. MFCD12755780
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₈BrNO
- Molecular Weight 226.07
- Synonym(s) 5-bromo-2-methyl-1-oxo-isoindoline
- SMILES CN1CC2=C(C=CC(Br)=C2)C1=O
Description
5-Bromo-2-methylisoindolin-1-one features a brominated isoindolinone core with a methyl group at the 2-position, delivering enhanced reactivity in transition-metal-catalyzed cross-coupling reactions. This bench-stable, moisture-tolerant scaffold integrates readily into complex molecular architectures, enabling efficient access to functionalized heterocycles for medicinal chemistry and materials science applications.
Application
5-Bromo-2-methylisoindolin-1-one serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C5 position via palladium-catalyzed cross-coupling. Its isoindolin-1-one core provides a rigid, electron-deficient scaffold suitable for constructing bioactive heterocycles. The bromo group offers high reactivity in standard coupling protocols, while the methyl substituent enhances solubility and modulates electronic properties. Bench-stable and readily purified by recrystallization, it functions effectively in multi-step synthesis of pharmaceutical intermediates.
Synthesis
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Route1
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In-stock
552330-86-6 -
74-88-4 - ~77%
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In-stock
868066-91-5
References
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PETER MACCALLUM CANCER INSTITUTE; SPICER, Julie Ann; DENNY, William Alexander; MILLER, Christian Karl; O'CONNOR, Patrick David; HUTTUNEN, Kristiina; TRAPANI, Joseph A.; HILL, Geoff; ALEXANDER, Kylie Patent: WO2014/28968 A1, 2014 ; Location in patent: Page/Page column 64 ;
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Route2
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888030-79-3
- ~56%
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In-stock
868066-91-5
References
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AMGEN INC. Patent: WO2008/8539 A2, 2008 ; Location in patent: Page/Page column 102 ;
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Route3
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888030-82-8
- ~%
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In-stock
868066-91-5
References
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Synlett, , # 5 p. 801 - 803
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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 20.31
- LogP 2.0347
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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