Lot numbers can be found on the outside label of a product:
3-(N-Tert-butoxycarbonyl-N-methylamino)aniline
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CAS No. 528882-16-8
- Cat. No. CS-W007148
- Purity≥97%
- MDL No.MFCD13677178
*For research and further manufacturing use only, not for direct human use.
Structure of 528882-16-8
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General Information
- CAS No. 528882-16-8
- Cat. No. CS-W007148
- Purity ≥97%
- MDL No. MFCD13677178
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₁₈N₂O₂
- Molecular Weight 222.28
- Synonym(s) None
- SMILES NC1=CC=CC(N(C(OC(C)(C)C)=O)C)=C1
Description
This protected aniline derivative features a tert-butoxycarbonyl-masked amine and a methylated nitrogen, enabling selective deprotection during peptide synthesis. The electron-rich aromatic ring supports efficient coupling reactions under standard conditions. Designed for stability in synthetic workflows, it integrates cleanly into complex molecular architectures.
Application
3-(N-Tert-butoxycarbonyl-N-methylamino)aniline serves as a versatile building block for the synthesis of substituted anilines and heterocyclic scaffolds. The Boc-protected amine enables orthogonal functionalization, while the methyl group enhances electronic modulation. Its bench-stable nature and compatibility with standard coupling and reduction protocols facilitate efficient access to complex intermediates in medicinal chemistry and process development workflows.
Synthesis
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Route1
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In-stock
528882-15-7 - ~96%
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In-stock
528882-16-8
References
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JAMES BLACK FOUNDATION LIMITED Patent: WO2004/98609 A1, 2004 ; Location in patent: Page/Page column 24-25 ;
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Route2
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In-stock
18437-64-4 - ~%
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In-stock
528882-16-8
References
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McDonald, Iain M.; Austin, Carol; Buck, Ildiko M.; Dunstone, David J.; Griffin, Eric; Harper, Elaine A.; Hull, Robert A. D.; Kalindjian, S. Barret; Linney, Ian D.; Low, Caroline M. R.; Pether, Michael J.; Spencer, John; Wright, Paul T.; Adatia, Trushar; Bashall, Alan Journal of Medicinal Chemistry, 2006 , vol. 49, # 7 p. 2253 - 2261
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Route3
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In-stock
3320-87-4 - ~%
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In-stock
528882-16-8
References
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McDonald, Iain M.; Austin, Carol; Buck, Ildiko M.; Dunstone, David J.; Griffin, Eric; Harper, Elaine A.; Hull, Robert A. D.; Kalindjian, S. Barret; Linney, Ian D.; Low, Caroline M. R.; Pether, Michael J.; Spencer, John; Wright, Paul T.; Adatia, Trushar; Bashall, Alan Journal of Medicinal Chemistry, 2006 , vol. 49, # 7 p. 2253 - 2261
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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 55.56
- LogP 2.6401
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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