Lot numbers can be found on the outside label of a product:
Methyl 2-bromobenzoate
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CAS No. 610-94-6
- Cat. No. CS-W007744
- Purity≥98%
- MDL No.MFCD00016328
*For research and further manufacturing use only, not for direct human use.
Structure of 610-94-6
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General Information
- CAS No. 610-94-6
- Cat. No. CS-W007744
- Purity ≥98%
- MDL No. MFCD00016328
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇BrO₂
- Molecular Weight 215.04
- Synonym(s) 2-Bromobenzoic Acid Methyl Ester; Methyl 2-bromobenzoate
- SMILES C1=CC=CC(=C1C(OC)=O)Br
Description
Methyl 2-bromobenzoate is a bench-stable, moisture-tolerant aryl bromide featuring a strategically positioned ester group. This combination enables direct coupling in cross-coupling reactions without requiring additional activation. The ortho-bromo substitution enhances reactivity in palladium-catalyzed processes, while the ester moiety provides a handle for downstream functionalization.
Application
Methyl 2-bromobenzoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions such as Suzuki-Miyaura and Stille transformations. The ortho-bromo functionality provides high reactivity in transition metal-mediated processes, while the methyl ester group offers compatibility with standard reduction and functionalization protocols. Its bench-stable nature and ease of purification make it well-suited for multi-step synthesis, particularly in the construction of substituted aromatic scaffolds relevant to medicinal chemistry and materials science.
Synthesis
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Route1
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67-56-1 -
In-stock
88-65-3 - ~96%
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In-stock
610-94-6
References
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Hatano, Bunpei; Miyoshi, Katsunori; Sato, Haruna; Ito, Tomohiro; Ogata, Tateaki; Kijima, Tatsuro Tetrahedron Letters, 2010 , vol. 51, # 41 p. 5399 - 5401
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Route2
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75-91-2
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In-stock
18982-54-2 - ~74%
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In-stock
610-94-6
References
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Li, Pan; Zhao, Jingjing; Lang, Rui; Xia, Chungu; Li, Fuwei Tetrahedron Letters, 2014 , vol. 55, # 2 p. 390 - 393
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Route3
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75-91-2
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In-stock
6630-33-7 - ~65%
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In-stock
610-94-6
References
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Li, Pan; Zhao, Jingjing; Lang, Rui; Xia, Chungu; Li, Fuwei Tetrahedron Letters, 2014 , vol. 55, # 2 p. 390 - 393
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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 2.2357
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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