Lot numbers can be found on the outside label of a product:
Ethyl 2-((4-methoxybenzyl)amino)acetate
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CAS No. 60857-16-1
- Cat. No. CS-0019245
- Purity≥95%
- MDL No.MFCD11151999
*For research and further manufacturing use only, not for direct human use.
Structure of 60857-16-1
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General Information
- CAS No. 60857-16-1
- Cat. No. CS-0019245
- Purity ≥95%
- MDL No. MFCD11151999
- Storage RT, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₁₇NO₃
- Molecular Weight None
- Synonym(s) N-[(4-methoxyphenyl)methyl]Glycine ethyl ester
- SMILES O=C(OCC)CNCC1=CC=C(OC)C=C1
Description
Ethyl 2-((4-methoxybenzyl)amino)acetate features a methoxy-substituted benzylamine moiety linked to an ethyl acetate group, delivering enhanced solubility and stability under standard conditions. This compound integrates readily into peptide coupling workflows and serves as a key intermediate in the synthesis of bioactive heterocycles and pharmaceutical candidates.
Application
Ethyl 2-((4-methoxybenzyl)amino)acetate serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and peptide-like scaffolds. Its pendant amine functionality facilitates selective derivatization, while the ethyl ester supports standard hydrolysis and coupling reactions. The 4-methoxybenzyl group provides robust protection for amines with orthogonal cleavage under mild acidic conditions, offering excellent bench stability and ease of purification in multi-step syntheses.
Synthesis
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Route1
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In-stock
623-33-6 -
123-11-5 - ~52%
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In-stock
60857-16-1
References
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Lopez-Cobenas, Alberto; Cledera, Pilar; Sanchez, J. Domingo; Lopez-Alvarado, Pilar; Ramos, M. Teresa; Avendano, Carmen; Menendez, J. Carlos Synthesis, 2005 , # 19 art. no. C06905SS, p. 3412 - 3422
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Route2
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52141-94-3 - ~80%
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In-stock
60857-16-1
References
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SCHERING CORPORATION Patent: US2003/232987 A1, 2003 ; Location in patent: Page 10 ;
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Route3
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105-36-2
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2393-23-9
- ~83%
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In-stock
60857-16-1
References
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Arcelli, Antonio; Balducci, Daniele; Grandi, Alessandro; Porzi, Gianni; Sandri, Monica; Sandri, Sergio Monatshefte fur Chemie, 2004 , vol. 135, # 8 p. 951 - 958
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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 47.56
- LogP 1.3479
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 6
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Key Words
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