Lot numbers can be found on the outside label of a product:
Methyl 5-bromo-1-naphthoate
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CAS No. 59866-97-6
- Cat. No. CS-0054856
- Purity≥98%
- MDL No.MFCD01464146
*For research and further manufacturing use only, not for direct human use.
Structure of 59866-97-6
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General Information
- CAS No. 59866-97-6
- Cat. No. CS-0054856
- Purity ≥98%
- MDL No. MFCD01464146
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₉BrO₂
- Molecular Weight 265.10
- Synonym(s) methyl 5-bromonaphthalene-1-carboxylate
- SMILES O=C(OC)C1=C2C=CC=C(Br)C2=CC=C1
Description
Methyl 5-bromo-1-naphthoate features a brominated naphthoate core with enhanced reactivity at the 5-position, enabling efficient coupling in transition-metal-catalyzed transformations. This bench-stable, moisture-tolerant ester integrates readily into synthetic sequences requiring electrophilic naphthalene scaffolds.
Application
Methyl 5-bromo-1-naphthoate serves as a versatile building block for the synthesis of naphthalene-based pharmaceutical intermediates and functional materials. The bromine substituent enables palladium-catalyzed cross-coupling reactions, while the methyl ester group offers compatibility with standard hydrolysis, reduction, and nucleophilic substitution protocols. Its bench-stable crystalline form facilitates handling and purification, making it well-suited for iterative synthetic sequences in medicinal chemistry and process development.
Synthesis
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Route1
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In-stock
16726-67-3 - ~%
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In-stock
59866-97-6
References
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Wahl Atti X. Congr. int. Chim. Rom, 1938 , p. Bd. 4, S. 851, 856
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Route2
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67-56-1 -
In-stock
16726-67-3
- ~94%
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In-stock
59866-97-6
References
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Madsen, Peter; Ling, Anthony; Plewe, Michael; Sams, Christian K.; Knudsen, Lotte B.; Sidelmann, Ulla G.; Ynddal, Lars; Brand, Christian L.; Andersen, Birgitte; Murphy, Douglas; Teng, Min; Truesdale, Larry; Kiel, Dan; May, John; Kuki, Atsuo; Shi, Shenghua; Johnson, Michael D.; Teston, Kimberly Ann; Feng, Jun; Lakis, James; Anderes, Kenna; Gregor, Vlad; Lau, Jesper Journal of Medicinal Chemistry, 2002 , vol. 45, # 26 p. 5755 - 5775
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Route3
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In-stock
81-86-7 - ~%
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In-stock
59866-97-6
References
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Li, Zhigang; Yang, Qing; Qian, Xuhong Tetrahedron, 2005 , vol. 61, # 36 p. 8711 - 8717
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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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