Lot numbers can be found on the outside label of a product:
Phenyl 2-hydroxy-4,5-dimethoxybenzoate
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CAS No. 877997-98-3
- Cat. No. CS-0150609
- Purity≥98%
- MDL No.MFCD08063359
*For research and further manufacturing use only, not for direct human use.
Structure of 877997-98-3
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General Information
- CAS No. 877997-98-3
- Cat. No. CS-0150609
- Purity ≥98%
- MDL No. MFCD08063359
- Storage RT, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₅H₁₄O₅
- Molecular Weight 274.27
- Synonym(s) Benzoic acid, 2-hydroxy-4,5-dimethoxy-, phenyl ester
- SMILES COC1=C(C=C(C(=C1)C(=O)OC2=CC=CC=C2)O)OC
Description
Phenyl 2-hydroxy-4,5-dimethoxybenzoate features a phenolic hydroxyl group flanked by two methoxy substituents on the aromatic ring, enabling hydrogen bonding and enhanced solubility in polar organic solvents. This structural motif supports its use in synthetic intermediates for bioactive molecule assembly, particularly where steric protection and controlled reactivity are required.
Application
Phenyl 2-hydroxy-4,5-dimethoxybenzoate serves as a versatile building block in medicinal chemistry and natural product synthesis. The ortho-hydroxyl group enables facile metal-catalyzed coupling reactions, while the dimethoxy substitution pattern provides enhanced stability and solubility. Its phenolic functionality supports direct derivatization and acts as a template for heterocyclic ring formation. The ester linkage offers convenient cleavage under mild conditions, facilitating downstream functionalization.
Synthesis
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Route1
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101-02-0 -
In-stock
5722-93-0 - ~96%
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In-stock
877997-98-3
References
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Zeria Pharmaceutical Co., LTD; Nakao, Ryu Patent: US2013/253222 A1, 2013 ; Location in patent: Paragraph 0039 ;
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Route2
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In-stock
5722-93-0
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108-95-2
- ~62%
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In-stock
877997-98-3
References
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ZERIA PHARMACEUTICAL CO., LTD. Patent: WO2006/22252 A1, 2006 ; Location in patent: Page/Page column 10 ;
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Route3
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In-stock
93-07-2 - ~%
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In-stock
877997-98-3
References
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US2013/253222 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-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 64.99
- LogP 2.6286
- H_Acceptors 5
- H_Donors 1
- Rotatable_Bonds 4
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Key Words
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