Lot numbers can be found on the outside label of a product:
Methyl 2-bromo-5-methylbenzoate
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CAS No. 90971-88-3
- Cat. No. CS-0046810
- Purity≥97%
- MDL No.MFCD00144764
*For research and further manufacturing use only, not for direct human use.
Structure of 90971-88-3
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General Information
- CAS No. 90971-88-3
- Cat. No. CS-0046810
- Purity ≥97%
- MDL No. MFCD00144764
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₉BrO₂
- Molecular Weight 229.07
- Synonym(s) None
- SMILES O=C(C1=CC(C)=CC=C1Br)OC
Description
Methyl 2-bromo-5-methylbenzoate features a brominated aromatic ring with complementary methyl and ester functionalities, enabling direct coupling in cross-coupling reactions. This bench-stable reagent integrates readily into synthetic sequences requiring electrophilic aryl halide handles, offering predictable reactivity under standard conditions.
Application
Methyl 2-bromo-5-methylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its well-established aryl bromide functionality. The methyl ester group provides compatibility with standard hydrolysis and derivatization protocols, while the meta-methyl substituent offers predictable electronic and steric control. This compound exhibits excellent bench stability and facilitates efficient purification, making it ideal for use in the construction of substituted aromatic scaffolds relevant to medicinal chemistry and materials science applications.
Synthesis
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Route1
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67-56-1 -
In-stock
6967-82-4 - ~10%
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In-stock
90971-88-3
References
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Guo, Shenghai; Wang, Jiliang; Li, Yan; Fan, Xuesen Tetrahedron, 2014 , vol. 70, # 14 p. 2383 - 2388
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Route2
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79-37-8
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In-stock
6967-82-4
- ~99%
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In-stock
90971-88-3
References
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Cell Therapeutics, Inc. Patent: US2003/153570 A1, 2003 ;
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Route3
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In-stock
6967-82-4
- ~%
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In-stock
90971-88-3
References
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AstraZeneca UK Limited Patent: US6200981 B1, 2001 ; US 6200981 B1
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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 26.3
- LogP 2.54412
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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