Lot numbers can be found on the outside label of a product:
Methyl 3-(benzyloxy)-5-hydroxybenzoate
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CAS No. 54915-31-0
- Cat. No. CS-0137229
- Purity≥97%
- MDL No.MFCD06655985
*For research and further manufacturing use only, not for direct human use.
Structure of 54915-31-0
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General Information
- CAS No. 54915-31-0
- Cat. No. CS-0137229
- Purity ≥97%
- MDL No. MFCD06655985
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₅H₁₄O₄
- Molecular Weight 258.27
- Synonym(s) 3-Hydroxy-5-(phenylmethoxy)benzoic Acid Methyl Ester
- SMILES O=C(OC)C1=CC(OCC2=CC=CC=C2)=CC(O)=C1
Description
Methyl 3-(benzyloxy)-5-hydroxybenzoate features a phenolic hydroxyl group flanked by electron-withdrawing ester and benzyloxy substituents, enabling selective derivatization in complex synthesis. The benzyl ether protects the hydroxyl during multi-step transformations, offering stable handling under standard conditions. This derivative integrates readily into natural product scaffolds and functionalized aromatic systems.
Application
Methyl 3-(benzyloxy)-5-hydroxybenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted benzene scaffolds. The benzyloxy and hydroxyl groups provide orthogonal handles for selective functionalization, while the methyl ester supports straightforward derivatization. This compound exhibits good bench stability and facilitates purification via standard chromatographic methods, making it well-suited for iterative synthesis in medicinal chemistry and natural product derivatization workflows.
Synthesis
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References
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Maekelae, Taru; Matikainen, Jorma; Waehaelae, Kristiina; Hase, Tapio Tetrahedron, 2000 , vol. 56, # 13 p. 1873 - 1882
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Route2
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100-39-0 - ~21%
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In-stock
54915-31-0
References
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ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2007/7042 A1, 2007 ; Location in patent: Page/Page column 45 ; WO 2007/007042 A1
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Route3
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In-stock
2150-44-9 -
100-39-0
- ~58%
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In-stock
54915-31-0
References
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THE UNIVERSITY OF SIDNEY; DUKE, Colin Charles; TRAN, Van Hoan; DUKE, Rujee Kyokajee Patent: WO2012/149608 A1, 2012 ; Location in patent: Page/Page column 34 ;
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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 55.76
- LogP 2.7578
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 4
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Key Words
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