Lot numbers can be found on the outside label of a product:
Isoquinolin-7-ol
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CAS No. 7651-83-4
- Cat. No. CS-W011000
- Purity≥97%
- MDL No.MFCD00456131
*For research and further manufacturing use only, not for direct human use.
Structure of 7651-83-4
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General Information
- CAS No. 7651-83-4
- Cat. No. CS-W011000
- Purity ≥97%
- MDL No. MFCD00456131
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₇NO
- Molecular Weight 145.16
- Synonym(s) 7-Hydroxyisoquinoline
- SMILES OC1=CC2=C(C=C1)C=CN=C2
Description
Isoquinolin-7-ol delivers a rigid, electron-rich heterocyclic scaffold ideal for constructing bioactive molecules. The phenolic hydroxyl group enables direct functionalization and hydrogen bonding, enhancing solubility and target engagement. This bench-stable compound integrates seamlessly into synthetic routes requiring polar, aromatic platforms with defined orientation.
Application
Isoquinolin-7-ol serves as a versatile heterocyclic building block for medicinal chemistry and materials science, enabling direct functionalization at the 7-position via electrophilic substitution or metal-catalyzed coupling. Its phenolic functionality offers enhanced solubility and hydrogen-bonding capacity, while the rigid fused ring system provides structural rigidity beneficial in scaffold design. Bench-stable and readily purified by recrystallization, it functions as a key intermediate in the synthesis of bioactive isoquinoline derivatives and advanced ligands.
Synthesis
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References
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Patel, Dinesh G.; Benedict, Jason B.; Kopelman, Roni A.; Frank, Natia L. Chemical Communications, 2005 , # 17 p. 2208 - 2210
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Route2
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In-stock
39989-39-4 - ~63%
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In-stock
7651-83-4
References
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Middleton, Donald S.; Maw, Graham N.; Challenger, Clare; Jessiman, Alan; Johnson, Patrick S.; Million, William A.; Nichols, Carly L.; Price, Jenny A.; Trevethick, Michael Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 4 p. 905 - 910
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References
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US5763611 A1, ;
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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 33.12
- LogP 1.9404
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 0
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