Lot numbers can be found on the outside label of a product:
5-Hydroxy-3,4-dihydroisoquinolin-1(2H)-one
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CAS No. 56469-02-4
- Cat. No. CS-0071856
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 56469-02-4
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General Information
- CAS No. 56469-02-4
- Cat. No. CS-0071856
- Purity ≥98%
- MDL No. None
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₉NO₂
- Molecular Weight 163.17
- Synonym(s) 5-Hydroxy-3,4-dihydro-2H-isoquinolin-1-one
- SMILES O=C1C2=CC=CC(O)=C2CCN1
Description
5-Hydroxy-3,4-dihydroisoquinolin-1(2H)-one is a nitrogen-containing heterocycle featuring a hydroxyl group at the 5-position and a carbonyl function at C1. This scaffold combines structural rigidity with hydrogen-bonding capacity, enabling precise molecular recognition in medicinal chemistry applications. The compound exhibits favorable solubility and stability under standard conditions, facilitating integration into synthetic routes targeting bioactive molecules.
Application
5-Hydroxy-3,4-dihydroisoquinolin-1(2H)-one serves as a versatile scaffold for medicinal chemistry campaigns, enabling straightforward functionalization at the C5 hydroxyl and C3/C4 positions. Its bench-stable structure facilitates efficient derivatization via standard coupling and oxidation protocols, supporting rapid exploration of analogs in CNS-targeted drug discovery.
Synthesis
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Route1
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In-stock
40731-98-4 - ~16%
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In-stock
56469-02-4
References
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Miyake, Yoshinori; Shimadzu, Hiroshi; Hashimoto, Naoto; Ishida, Yoshio; Shibakawa, Masahiko; Nishimura, Tsunehiko Journal of Labelled Compounds and Radiopharmaceuticals, 2000 , vol. 43, # 10 p. 983 - 988
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Route2
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In-stock
5154-02-9 - ~83%
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In-stock
56469-02-4
References
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Showalter; Sercel; Stier; Turner Journal of Heterocyclic Chemistry, 2001 , vol. 38, # 4 p. 961 - 964
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Route3
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In-stock
5154-02-9
- ~%
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In-stock
56469-02-4
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762236-09-9
References
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US4847264 A1, ; US 4847264 A
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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 49.33
- LogP 0.6781
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 0
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Key Words
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