Lot numbers can be found on the outside label of a product:
Methyl 2-(3-hydroxyphenyl)acetate
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CAS No. 42058-59-3
- Cat. No. CS-0019183
- Purity≥98%
- MDL No.MFCD00017660
*For research and further manufacturing use only, not for direct human use.
Structure of 42058-59-3
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General Information
- CAS No. 42058-59-3
- Cat. No. CS-0019183
- Purity ≥98%
- MDL No. MFCD00017660
- Storage RT, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₀O₃
- Molecular Weight None
- Synonym(s) Methyl m-hydroxyphenylacetate
- SMILES O=C(OC)CC1=CC=CC(O)=C1
Description
Methyl 2-(3-hydroxyphenyl)acetate features a phenolic hydroxyl group ortho to a benzylic ester, enabling direct functionalization at the aromatic ring. This configuration supports efficient derivatization in synthetic routes to bioactive scaffolds and fluorescent probes, with the ester moiety offering tunable reactivity under standard conditions.
Application
Methyl 2-(3-hydroxyphenyl)acetate serves as a versatile building block for phenolic scaffold synthesis, enabling efficient access to substituted benzene derivatives via standard functional group interconversions. Its ortho-hydroxyl and ester functionalities offer orthogonal reactivity for selective derivatization, while the methyl ester facilitates straightforward hydrolysis or coupling reactions. Bench-stable and amenable to purification by recrystallization or column chromatography, it functions reliably in multi-step syntheses requiring precise regiocontrol and compatibility with common reaction conditions.
Synthesis
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Route1
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67-56-1 -
In-stock
621-37-4 - ~97%
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In-stock
42058-59-3
References
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ELI LILLY AND COMPANY Patent: WO2005/66136 A1, 2005 ; Location in patent: Page/Page column 51 ; WO 2005/066136 A1
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Route2
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In-stock
621-37-4
- ~98%
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In-stock
42058-59-3
References
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ELI LILLY AND COMPANY Patent: WO2004/63184 A1, 2004 ; Location in patent: Page 53 ; WO 2004/063184 A1
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Route3
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62969-42-0 - ~%
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In-stock
42058-59-3
References
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MERCK and CO., INC. Patent: WO2006/57922 A2, 2006 ; Location in patent: Page/Page column 34-35 ;
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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-H412
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Precautionary Statements : P264-P270-P273-P301+P312-P330-P501
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Quality Control
Computational Chemistry Data
- TPSA 46.53
- LogP 1.1077
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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