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Methyl 4-(2-aminoethoxy)benzoate
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CAS No. 56850-93-2
- Cat. No. CS-0301920
- Purity≥96%
- MDL No.MFCD13976404
*For research and further manufacturing use only, not for direct human use.
Structure of 56850-93-2
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General Information
- CAS No. 56850-93-2
- Cat. No. CS-0301920
- Purity ≥96%
- MDL No. MFCD13976404
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₃NO₃
- Molecular Weight 195.22
- Synonym(s) Benzoic acid, 4-(2-aMinoethoxy)-, Methyl ester
- SMILES COC(=O)C1=CC=C(C=C1)OCCN
Description
Methyl 4-(2-aminoethoxy)benzoate features a para-substituted benzene ring linked to a methoxy ester and a pendant aminoethoxy group. This bifunctional scaffold integrates a nucleophilic amine with an electrophilic ester, enabling direct conjugation or derivatization in synthetic workflows. The molecule exhibits excellent solubility in common organic solvents and maintains stability under standard bench conditions, facilitating use in peptide coupling, probe synthesis, and bioconjugation applications.
Application
Methyl 4-(2-aminoethoxy)benzoate serves as a versatile building block in medicinal chemistry, enabling straightforward derivatization via the primary amine group. The molecule exhibits good bench stability and facilitates efficient coupling reactions, including amidation and reductive alkylation. Its aromatic ester functionality supports orthogonal transformations, making it valuable for constructing complex heterocyclic scaffolds and bioactive molecules through standard synthetic protocols.
Synthesis
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Route1
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137988-24-0 - ~%
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In-stock
56850-93-2
References
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CURIS, INC. Patent: WO2008/33743 A1, 2008 ; Location in patent: Page/Page column 54; 60 ;
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Route2
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56850-91-0 - ~%
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In-stock
56850-93-2
References
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Syntex (U.S.A.) Inc. Patent: US3940407 A1, 1976 ; US 3940407 A
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Route3
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151-56-4 -
In-stock
99-76-3 - ~%
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In-stock
56850-93-2
References
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Nippon Shinyaku Co., Ltd. Patent: US4831055 A1, 1989 ;
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Safety Information
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GHS Pictogram :
N/A
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GHS No : N/A
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Signal Word : N/A
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UN#: N/A
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Class : N/A
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Hazard Statements : N/A
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Precautionary Statements : N/A
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Quality Control
Computational Chemistry Data
- TPSA 61.55
- LogP 0.8107
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 4
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Key Words
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