Lot numbers can be found on the outside label of a product:
Methyl 2-hydroxy-5-methylbenzoate
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CAS No. 22717-57-3
- Cat. No. CS-0153321
- Purity≥98%
- MDL No.MFCD00016485
*For research and further manufacturing use only, not for direct human use.
Structure of 22717-57-3
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General Information
- CAS No. 22717-57-3
- Cat. No. CS-0153321
- Purity ≥98%
- MDL No. MFCD00016485
- Storage RT, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₀O₃
- Molecular Weight 166.17
- Synonym(s) p-Cresotic Acid Methyl Ester
- SMILES CC1=CC(=C(C=C1)O)C(=O)OC
Description
Methyl 2-hydroxy-5-methylbenzoate features a strategically positioned hydroxyl group ortho to the ester, enabling intramolecular hydrogen bonding that enhances stability and influences reactivity. This electron-rich aromatic system facilitates selective functionalization in synthetic routes. The methyl substituent at the para position modulates electronic distribution and solubility, improving handling under standard bench conditions.
Application
Methyl 2-hydroxy-5-methylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted benzoic acid derivatives and heterocyclic scaffolds. Its ortho-hydroxyl and methyl groups provide distinct sites for selective functionalization, while the ester moiety supports transformations such as hydrolysis, reduction, or coupling reactions. Bench-stable and amenable to standard purification techniques, it facilitates reliable synthesis in medicinal chemistry and materials science applications.
Synthesis
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Route1
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67-56-1 -
In-stock
89-56-5 - ~92%
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In-stock
22717-57-3
References
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Gisch, Nicolas; Balzarini, Jan; Meier, Chris Journal of Medicinal Chemistry, 2008 , vol. 51, # 21 p. 6752 - 6760
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Route2
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In-stock
89-56-5
- ~%
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In-stock
22717-57-3
References
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US6150413 A1, ;
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Route3
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59529-68-9
- ~6%
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In-stock
22717-57-3
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117370-01-1
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117370-00-0
References
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Journal of Organic Chemistry, , vol. 54, p. 38
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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 : P264-P280-P302+P352-P362
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Quality Control
Computational Chemistry Data
- TPSA 46.53
- LogP 1.48722
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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