Lot numbers can be found on the outside label of a product:
Methyl 3-acetyl-4-hydroxybenzoate
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CAS No. 57009-12-8
- Cat. No. CS-0101990
- Purity≥96%
- MDL No.MFCD06797942
*For research and further manufacturing use only, not for direct human use.
Structure of 57009-12-8
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General Information
- CAS No. 57009-12-8
- Cat. No. CS-0101990
- Purity ≥96%
- MDL No. MFCD06797942
- Storage RT, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₀O₄
- Molecular Weight 194.18
- Synonym(s) None
- SMILES O=C(OC)C1=CC=C(O)C(C(C)=O)=C1
Description
Methyl 3-acetyl-4-hydroxybenzoate features a strategically positioned acetyl group flanking a phenolic hydroxyl, enabling selective derivatization in synthetic routes. The methyl ester provides stability under standard conditions while allowing controlled hydrolysis. This scaffold integrates readily into bioactive molecule frameworks requiring dual polar functionalities and electron-withdrawing character.
Application
Methyl 3-acetyl-4-hydroxybenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized aromatic scaffolds. The molecule combines a phenolic hydroxyl group with an acetyl ketone and methyl ester functionality, offering orthogonal reactivity for selective derivatization. Its bench-stable nature and compatibility with standard coupling, protection, and oxidation protocols make it well-suited for medicinal chemistry campaigns and heterocycle synthesis.
Synthesis
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Route1
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111-34-2 -
In-stock
29415-97-2 - ~79%
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In-stock
57009-12-8
References
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ASTRAZENECA AB; ASTRAZENECA UK LIMITED; BARLAAM, Bernard, Christophe; DEGORCE, Sebastien Louis; LAMBERT-VAN DER BREMPT, Christine Marie Paul; LOHMANN, Jean-Jacques Marcel; PLE, Patrick Patent: WO2012/140419 A1, 2012 ; Location in patent: Page/Page column 87 ;
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Route2
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67-56-1
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201230-82-2
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In-stock
1450-75-5 - ~81%
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In-stock
57009-12-8
References
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BIOENERGENIX; MCCALL, John; KELLY, Robert, C.; ROMERO, Donna, L. Patent: WO2014/66795 A1, 2014 ; Location in patent: Paragraph 0175 ;
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Route3
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In-stock
99-76-3 - ~%
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In-stock
57009-12-8
References
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ASTRAZENECA AB Patent: US2011/98271 A1, 2011 ;
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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 : H315-H319
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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 63.6
- LogP 1.3814
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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