Lot numbers can be found on the outside label of a product:
Methyl 4-hydroxy-2-methylbenzoate
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CAS No. 57556-31-7
- Cat. No. CS-0038132
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 57556-31-7
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General Information
- CAS No. 57556-31-7
- Cat. No. CS-0038132
- Purity ≥97%
- MDL No. None
- Storage RT, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₀O₃
- Molecular Weight 166.17
- Synonym(s) Methyl 2-methyl-4-hydroxybenzoate
- SMILES CC1=CC(=CC=C1C(=O)OC)O
Description
Methyl 4-hydroxy-2-methylbenzoate features a phenolic hydroxyl group flanked by a methyl substituent and an ester moiety, enabling selective derivatization in synthetic sequences. This ortho-substituted scaffold offers enhanced stability under standard conditions while maintaining reactivity for coupling reactions. The molecule integrates readily into complex architectures requiring polar yet lipophilic functional handles.
Application
Methyl 4-hydroxy-2-methylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted phenolic scaffolds. The molecule combines a phenolic hydroxyl group with an ester functionality, allowing for selective derivatization via etherification, acylation, or metal-catalyzed coupling reactions. Its bench-stable nature and compatibility with common protecting group strategies facilitate use in multi-step synthesis, particularly in the construction of bioactive heterocycles and pharmaceutical intermediates.
Synthesis
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Route1
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67-56-1 -
201230-82-2
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In-stock
133921-27-4 - ~60%
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In-stock
57556-31-7
References
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Galderma Research and Development S.N.C. Patent: US6689922 B1, 2004 ; Location in patent: Page column 85-86 ;
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Route2
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In-stock
578-39-2 - ~99%
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In-stock
57556-31-7
References
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AJINOMOTO CO. INC. Patent: US2012/59149 A1, 2012 ;
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Route3
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67-56-1
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In-stock
578-39-2
- ~98%
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In-stock
57556-31-7
References
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Ajinomoto Co., Inc.; TAKAHASHI, Daisuke Patent: EP2612845 A1, 2013 ; Location in patent: Paragraph 0269; 0270 ;
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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 46.53
- LogP 1.48722
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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