Lot numbers can be found on the outside label of a product:
1-Methyl-1,2,3,4-tetrahydroisoquinoline
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CAS No. 4965-09-7
- Cat. No. CS-W002686
- Purity≥95%
- MDL No.MFCD00798989
*For research and further manufacturing use only, not for direct human use.
Structure of 4965-09-7
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General Information
- CAS No. 4965-09-7
- Cat. No. CS-W002686
- Purity ≥95%
- MDL No. MFCD00798989
- Storage -20°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₃N
- Molecular Weight 147.22
- Synonym(s) None
- SMILES CC1NCCC2=C1C=CC=C2
Description
1-Methyl-1,2,3,4-tetrahydroisoquinoline is a bench-stable, electron-rich heterocycle featuring a fused benzene and pyrrolidine ring system with a methyl group at the nitrogen. This scaffold serves as a privileged building block in medicinal chemistry, enabling direct incorporation into bioactive molecules due to its favorable metabolic profile and compatibility with diverse synthetic transformations.
Application
1-Methyl-1,2,3,4-tetrahydroisoquinoline serves as a versatile heterocyclic building block in medicinal chemistry, offering a stable, bench-ready scaffold for nitrogen-containing compound synthesis. Its tertiary amine functionality enables straightforward functionalization, while the saturated ring system provides enhanced metabolic stability and favorable physicochemical properties. This compound facilitates efficient access to alkaloid analogs and API intermediates through standard coupling, alkylation, and electrophilic substitution protocols.
Synthesis
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Route1
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In-stock
2412-58-0 - ~99%
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In-stock
4965-09-7
References
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Canfield, Lesley M.; Crabb, Trevor A. Journal of Chemical Research, Miniprint, 1997 , # 11 p. 2401 - 2416
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Route2
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1721-93-3 - ~90%
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In-stock
4965-09-7
References
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Wu, Jianjun; Wang, Chao; Tang, Weijun; Pettman, Alan; Xiao, Jianliang Chemistry - A European Journal, 2012 , vol. 18, # 31 p. 9525 - 9529
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Route3
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79011-27-1
- ~90%
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In-stock
4965-09-7
References
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Shinohara, Tatsumi; Takeda, Akira; Toda, Jun; Terasawa, Noriyo; Sano, Takehiro Heterocycles, 1997 , vol. 46, # 1 p. 555 - 565
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Safety Information
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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 12.03
- LogP 1.8933
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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