Lot numbers can be found on the outside label of a product:
Methyl 5-bromo-2-naphthoate
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CAS No. 67878-76-6
- Cat. No. CS-0041311
- Purity≥98%
- MDL No.MFCD08275021
*For research and further manufacturing use only, not for direct human use.
Structure of 67878-76-6
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General Information
- CAS No. 67878-76-6
- Cat. No. CS-0041311
- Purity ≥98%
- MDL No. MFCD08275021
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₉BrO₂
- Molecular Weight 265.10
- Synonym(s) PO-20100107-P-548
- SMILES O=C(OC)C1=CC=C2C(Br)=CC=CC2=C1
Description
Methyl 5-bromo-2-naphthoate is a bench-stable, moisture-tolerant naphthalene derivative featuring a bromine atom at the 5-position and a methyl ester group at the 2-position. This combination enables direct functionalization in cross-coupling reactions and facilitates downstream derivatization in synthetic organic chemistry workflows.
Application
Methyl 5-bromo-2-naphthoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its well-defined bromo functionality at the 5-position of the naphthalene core. The methyl ester group provides orthogonal reactivity for subsequent transformations, while the aromatic scaffold offers inherent stability and compatibility with standard bench-scale protocols. This compound facilitates efficient access to substituted naphthoate derivatives used in pharmaceutical intermediates and functional materials.
Synthesis
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Route1
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67-56-1 -
In-stock
1013-83-8 - ~95%
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In-stock
67878-76-6
References
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Oeztaskin, Necla; Goeksu, Sueleyman; Hasan Secen Synthetic Communications, 2011 , vol. 41, # 13 p. 2017 - 2024
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Route2
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In-stock
1013-83-8
- ~66%
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In-stock
67878-76-6
References
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He, John Xiaoqiang; Honigschmidt, Nicholas Allan; Kohn, Todd Jonathan; Rocco, Vincent Patrick; Spinazze, Patrick Gianpietro; Takeuchi, Kumiko Patent: US2003/225281 A1, 2003 ; Location in patent: Page 13 ;
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Route3
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In-stock
93-09-4 - ~39%
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In-stock
67878-76-6
References
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American Home Product Patent: US4966975 A1, 1990 ;
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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 3.3889
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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