Lot numbers can be found on the outside label of a product:
Methyl 4-hydroxy-2,6-dimethylbenzoate
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CAS No. 83194-70-1
- Cat. No. CS-0187507
- Purity≥96%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 83194-70-1
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General Information
- CAS No. 83194-70-1
- Cat. No. CS-0187507
- Purity ≥96%
- MDL No. None
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₂O₃
- Molecular Weight 180.20
- Synonym(s) None
- SMILES CC1=C(C(=CC(=C1)O)C)C(=O)OC
Description
Methyl 4-hydroxy-2,6-dimethylbenzoate features a phenolic hydroxyl group flanked by two methyl substituents at the ortho positions, enhancing steric protection and stability. This electron-rich scaffold integrates readily into synthetic routes requiring a protected phenol motif, offering improved handling and compatibility in complex molecular architectures.
Application
Methyl 4-hydroxy-2,6-dimethylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted phenolic scaffolds. Its ortho-methyl groups provide steric protection and enhance bench stability, while the free phenolic hydroxyl group facilitates direct derivatization via etherification, acylation, or metal-catalyzed coupling reactions. The methyl ester functions as a stable handle for subsequent reduction or amidation, supporting diverse downstream transformations in medicinal chemistry and materials science applications.
Synthesis
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Route1
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306297-02-9 - ~95%
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In-stock
83194-70-1
References
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SCHERING CORPORATION Patent: EP1175401 B1, 2005 ; Location in patent: Page/Page column 27 ;
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Route2
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67333-67-9 - ~71%
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In-stock
83194-70-1
References
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Tong, Hung-Chun; Reddy, K. Rajender; Liu, Shiuh-Tzung European Journal of Organic Chemistry, 2014 , vol. 2014, # 15 p. 3256 - 3261
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Route3
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107941-44-6
- ~57%
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37934-88-6 -
In-stock
83194-70-1
References
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Jung, Michael E.; Hagenah, Jeffrey A. Heterocycles, 1987 , vol. 25, p. 117 - 121
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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-P330-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 46.53
- LogP 1.79564
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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