Lot numbers can be found on the outside label of a product:
Methyl 4-(4-aminophenyl)butanoate
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CAS No. 20637-09-6
- Cat. No. CS-W005992
- Purity≥96%
- MDL No.MFCD07366753
*For research and further manufacturing use only, not for direct human use.
Structure of 20637-09-6
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General Information
- CAS No. 20637-09-6
- Cat. No. CS-W005992
- Purity ≥96%
- MDL No. MFCD07366753
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₁₅NO₂
- Molecular Weight 193.24
- Synonym(s) 4-Aminophenylbutyric Acid Methyl Ester
- SMILES O=C(OC)CCCC1=CC=C(N)C=C1
Description
Methyl 4-(4-aminophenyl)butanoate features a para-aminophenyl group linked via a butanoate chain, enabling integration into conjugation workflows. The electron-rich aromatic ring and amine functionality support facile derivatization, while the ester moiety offers tunable reactivity under standard conditions. This compound serves as a key intermediate in bioconjugation and pharmaceutical synthesis.
Application
Methyl 4-(4-aminophenyl)butanoate serves as a versatile building block for the synthesis of aromatic amides and heterocyclic scaffolds. Its pendant aniline functionality enables direct coupling reactions, while the ester group facilitates selective transformations under standard conditions. The molecule exhibits good bench stability and is readily purified by crystallization or column chromatography, making it well-suited for iterative medicinal chemistry campaigns and process-scale applications.
Synthesis
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Route1
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20637-02-9 - ~98%
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In-stock
20637-09-6
References
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Mosley, Cara A.; Myers, Scott J.; Murray, Ernest E.; Santangelo, Rose; Tahirovic, Yesim A.; Kurtkaya, Natalie; Mullasseril, Praseeda; Yuan, Hongjie; Lyuboslavsky, Polina; Le, Phuong; Wilson, Lawrence J.; Yepes, Manuel; Dingledine, Ray; Traynelis, Stephen F.; Liotta, Dennis C. Bioorganic and Medicinal Chemistry, 2009 , vol. 17, # 17 p. 6463 - 6480
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Route2
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67-56-1 -
In-stock
15118-60-2 - ~98%
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In-stock
20637-09-6
References
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TETRA DISCOVERY PARTNERS, LLC.; GURNEY, Mark, E.; HAGEN, Timothy, J.; MO, Xuesheng; VELLEKOOP, A.; ROMERO, Donna, L.; CAMPBELL, Robert, F.; WALKER, Joel, R.; ZHU, Lei Patent: WO2014/66659 A1, 2014 ; Location in patent: Paragraph 0722 ;
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Route3
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In-stock
15118-60-2
- ~82%
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In-stock
20637-09-6
References
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LABORATORIOS MENARINI S.A. Patent: EP775133 B1, 2001 ;
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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 52.32
- LogP 1.7645
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 4
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Key Words
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