Lot numbers can be found on the outside label of a product:
4-(4-Methylpiperazin-1-yl)benzaldehyde
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CAS No. 27913-99-1
- Cat. No. CS-W002614
- Purity≥97%
- MDL No.MFCD00452233
*For research and further manufacturing use only, not for direct human use.
Structure of 27913-99-1
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General Information
- CAS No. 27913-99-1
- Cat. No. CS-W002614
- Purity ≥97%
- MDL No. MFCD00452233
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₁₆N₂O
- Molecular Weight None
- Synonym(s) 4-(4-formylphenyl)-1-methylpiperazin-1-ium
- SMILES CN1CCN(C2=CC=C(C=O)C=C2)CC1
Description
4-(4-Methylpiperazin-1-yl)benzaldehyde features a para-substituted benzaldehyde core linked to a sterically accessible methylpiperazine group, enabling efficient coupling in late-stage functionalization. This electron-rich scaffold integrates readily into bioactive molecule frameworks, offering enhanced solubility and metabolic stability in medicinal chemistry applications.
Application
4-(4-Methylpiperazin-1-yl)benzaldehyde serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive heterocycles and drug-like scaffolds. The aldehyde functionality facilitates reductive amination, Schiff base formation, and coupling reactions with amines or hydrazides. Its piperazine moiety provides solubility enhancement and hydrogen-bonding capacity, while the methylpiperazine group offers favorable pharmacokinetic properties. Bench-stable and readily purified by recrystallization or chromatography, it functions effectively in standard synthetic workflows for lead optimization and API intermediate development.
Synthesis
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Route1
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In-stock
109-01-3 -
459-57-4 - ~90%
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In-stock
27913-99-1
References
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COLEY PHARMACEUTICAL GROUP, INC. Patent: WO2008/152471 A1, 2008 ; Location in patent: Page/Page column 38-39 ;
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Route2
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In-stock
342405-34-9 - ~61%
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In-stock
27913-99-1
References
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RVX Therapeutics Inc.; McLure, Kevin G.; Young, Peter Ronald Patent: US2013/281397 A1, 2013 ; Location in patent: Paragraph 0523; 0524 ;
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Route3
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In-stock
109-01-3
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61568-51-2 - ~81%
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In-stock
27913-99-1
References
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Liu, Xiaoling; Go, Mei-Lin Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 22 p. 7021 - 7034
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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 23.55
- LogP 1.2509
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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