Lot numbers can be found on the outside label of a product:
4-Bromo-2-methoxybenzoic acid
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CAS No. 72135-36-5
- Cat. No. CS-W007799
- Purity≥96%
- MDL No.MFCD07780665
*For research and further manufacturing use only, not for direct human use.
Structure of 72135-36-5
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General Information
- CAS No. 72135-36-5
- Cat. No. CS-W007799
- Purity ≥96%
- MDL No. MFCD07780665
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇BrO₃
- Molecular Weight 231.04
- Synonym(s) Benzoic acid, 4-bromo-2-methoxy-
- SMILES COC1=C(C=CC(Br)=C1)C(O)=O
Description
4-Bromo-2-methoxybenzoic acid features a bromine substituent at the para position relative to the carboxylic acid and a methoxy group at the ortho position, creating a uniquely electron-deficient aromatic scaffold. This combination enhances reactivity in cross-coupling processes while maintaining stability under standard conditions. The molecule integrates readily into pharmaceutical intermediates and functional materials requiring halogenated aryl motifs.
Application
4-Bromo-2-methoxybenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct incorporation of bromo and methoxy functionalities into complex scaffolds. Its carboxylic acid group facilitates standard transformations such as amide formation, esterification, and decarboxylative coupling, while the ortho-methoxy substituent provides moderate electronic stabilization and orthogonal reactivity. The compound exhibits good bench stability and is compatible with palladium-catalyzed cross-coupling reactions, making it suitable for modular synthesis workflows.
Synthesis
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Route1
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In-stock
1666-28-0 -
74-88-4 - ~94%
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In-stock
72135-36-5
References
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PFIZER LIMITED Patent: WO2006/100588 A1, 2006 ; Location in patent: Page/Page column 55-56 ; WO 2006/100588 A1
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Route2
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In-stock
139102-34-4 - ~99%
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In-stock
72135-36-5
References
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Mok, N. Yi; Chadwick, James; Kellett, Katherine A. B.; Casas-Arce, Eva; Hooper, Nigel M.; Johnson, A. Peter; Fishwick, Colin W. G. Journal of Medicinal Chemistry, 2013 , vol. 56, # 5 p. 1843 - 1852
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Route3
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In-stock
330793-38-9 - ~38%
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In-stock
72135-36-5
References
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Abbott Laboratories Patent: US6921763 B2, 2005 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS06
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Signal Word : Danger
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UN#: 2811
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Class : 6.1
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Packing Group : Ⅲ
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Hazard Statements : H301
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Precautionary Statements : P264-P270-P330-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 46.53
- LogP 2.1559
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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