Lot numbers can be found on the outside label of a product:
Methyl 2-(3-formyl-4-hydroxyphenyl)acetate
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CAS No. 61874-04-2
- Cat. No. CS-W020458
- Purity≥98%
- MDL No.MFCD04972464
*For research and further manufacturing use only, not for direct human use.
Structure of 61874-04-2
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General Information
- CAS No. 61874-04-2
- Cat. No. CS-W020458
- Purity ≥98%
- MDL No. MFCD04972464
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₀O₄
- Molecular Weight 194.18
- Synonym(s) methyl 2-(3-formyl-4-hydroxy-phenyl)acetate
- SMILES COC(=O)Cc1ccc(O)c(C=O)c1
Description
Methyl 2-(3-formyl-4-hydroxyphenyl)acetate features a phenolic hydroxyl group and an aldehyde function positioned ortho to each other on the aromatic ring, enabling efficient coupling in cross-coupling and condensation reactions. The ester moiety enhances solubility in organic media while maintaining stability under standard bench conditions. This bifunctional scaffold integrates readily into complex molecular architectures requiring precise spatial control.
Application
Methyl 2-(3-formyl-4-hydroxyphenyl)acetate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to bioactive heterocycles and natural product analogs. The molecule combines an ortho-hydroxybenzaldehyde motif with a pendant ester group, offering orthogonal reactivity for selective transformations. Its bench-stable nature facilitates straightforward handling, while the aldehyde and phenolic hydroxyl groups enable diverse coupling reactions, including Mannich-type cyclizations and oxidative aromatizations. This scaffold is particularly valuable in medicinal chemistry lead optimization and the construction of polyfunctionalized aromatic systems.
Synthesis
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Route1
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50-00-0 -
In-stock
14199-15-6 - ~96%
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In-stock
61874-04-2
References
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Axys Pharmaceuticals, Inc. Patent: US6867200 B1, 2005 ; Location in patent: Page/Page column 80 ; US 6867200 B1
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Route2
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871266-57-8
- ~58%
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In-stock
61874-04-2
References
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AXYS PHARMACEUTICALS, INC. Patent: WO2005/118554 A2, 2005 ; Location in patent: Page/Page column 39 ;
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Route3
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100-97-0
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In-stock
14199-15-6
- ~%
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In-stock
61874-04-2
References
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EP1489078 A1, ; Page 149-150 ; EP 1489078 A1
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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
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Precautionary Statements : P264-P270-P330-P501
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Quality Control
Computational Chemistry Data
- TPSA 63.6
- LogP 0.9202
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 3
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Key Words
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