Lot numbers can be found on the outside label of a product:
1,2,3,4-Tetrahydroisoquinolin-7-amine
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CAS No. 72299-68-4
- Cat. No. CS-0044489
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 72299-68-4
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General Information
- CAS No. 72299-68-4
- Cat. No. CS-0044489
- Purity ≥97%
- MDL No. None
- Storage -20°C, sealed storage, away from moisture and light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₂N₂
- Molecular Weight 148.20
- Synonym(s) 7-Amino-1,2,3,4-tetrahydroisoquinoline
- SMILES NC1=CC2=C(C=C1)CCNC2
Description
1,2,3,4-Tetrahydroisoquinolin-7-amine features a saturated isoquinoline core with a primary amine at the C7 position, offering a rigid, electron-rich scaffold ideal for medicinal chemistry. This bench-stable heterocycle integrates readily into bioactive molecule design, particularly in CNS-targeted therapeutics and kinase inhibitors.
Application
1,2,3,4-Tetrahydroisoquinolin-7-amine serves as a versatile scaffold in medicinal chemistry, enabling the synthesis of bioactive compounds through standard amine functionalization and coupling reactions. Its bench-stable nature and compatibility with diverse reaction conditions facilitate efficient access to heterocyclic libraries. The molecule functions as a key building block for CNS-targeted drug candidates and supports orthogonal transformations in multi-step synthetic sequences.
Synthesis
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Route1
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In-stock
99365-69-2 - ~90%
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In-stock
72299-68-4
References
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Grunewald, Gary L.; Dahanukar, Vilas H.; Caldwell, Timothy M.; Criscione, Kevin R. Journal of Medicinal Chemistry, 1997 , vol. 40, # 25 p. 3997 - 4005
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Route2
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In-stock
181634-14-0 - ~85%
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In-stock
72299-68-4
References
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Butora, Gabor; Goble, Stephen D.; Pastemak, Alexander; Yang, Lihu; Zhou, Changyou; Moyes, Christopher R. Patent: US2008/81803 A1, 2008 ; Location in patent: Page/Page column 71 ; US 20080081803 A1
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References
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WO2009/62658 A1, ; Page/Page column 37 ; WO 2009/062658 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 38.05
- LogP 0.9145
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 0
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Key Words
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