Lot numbers can be found on the outside label of a product:
2-Bromo-5-hydroxy-4-methoxybenzoic acid
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CAS No. 121936-68-3
- Cat. No. CS-W007036
- Purity≥98%
- MDL No.MFCD16659606
*For research and further manufacturing use only, not for direct human use.
Structure of 121936-68-3
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General Information
- CAS No. 121936-68-3
- Cat. No. CS-W007036
- Purity ≥98%
- MDL No. MFCD16659606
- Storage RT, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇BrO₄
- Molecular Weight 247.04
- Synonym(s) None
- SMILES COC1=CC(Br)=C(C=C1O)C(O)=O
Description
2-Bromo-5-hydroxy-4-methoxybenzoic acid features a unique combination of bromine, hydroxyl, and methoxy substituents on a benzoic acid scaffold, enabling selective functionalization in synthetic routes. The electron-withdrawing bromine and polar hydroxyl group enhance reactivity in coupling reactions, while the methoxy moiety improves solubility and stability under standard conditions. This derivative serves as a key intermediate in the development of bioactive aromatic compounds and specialty polymers.
Application
2-Bromo-5-hydroxy-4-methoxybenzoic acid serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its ortho-bromine enables palladium-catalyzed cross-coupling reactions, while the hydroxyl and methoxy groups offer sites for derivatization or protection. The carboxylic acid functionality facilitates amide bond formation and salt crystallization, enhancing purification and handling. This compound exhibits good bench stability and compatibility with standard synthetic workflows.
Synthesis
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Route1
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In-stock
2973-59-3 - ~88%
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In-stock
121936-68-3
References
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Scinopharm Taiwan Ltd. Patent: US2008/255347 A1, 2008 ; Location in patent: Page/Page column 5 ;
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Route2
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850856-55-2 - ~%
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In-stock
121936-68-3
References
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Journal of Organic Chemistry, , vol. 5, p. 204,208
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Route3
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In-stock
621-59-0 - ~%
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In-stock
121936-68-3
References
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Journal of Organic Chemistry, , vol. 5, p. 204,208
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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 66.76
- LogP 1.8615
- H_Acceptors 3
- H_Donors 2
- Rotatable_Bonds 2
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Key Words
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