Lot numbers can be found on the outside label of a product:
Methyl 4-bromo-2-naphthoate
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CAS No. 5043-29-8
- Cat. No. CS-0343011
- Purity≥98%
- MDL No.MFCD18413035
*For research and further manufacturing use only, not for direct human use.
Structure of 5043-29-8
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General Information
- CAS No. 5043-29-8
- Cat. No. CS-0343011
- Purity ≥98%
- MDL No. MFCD18413035
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₉BrO₂
- Molecular Weight 265.10
- Synonym(s) Methyl-4-Bromo-2-Methylbenzoate
- SMILES O=C(C1=CC(Br)=C2C=CC=CC2=C1)OC
Description
Methyl 4-bromo-2-naphthoate features a brominated naphthalene core with a methyl ester group, offering a versatile handle for further functionalization. This bench-stable compound integrates readily into cross-coupling reactions and serves as a key intermediate in the synthesis of complex polycyclic architectures.
Application
Methyl 4-bromo-2-naphthoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions for the construction of biaryl scaffolds. The bromine substituent provides high reactivity in Suzuki, Stille, and Negishi couplings, while the ester group offers compatibility with subsequent transformations. Its bench-stable crystalline form facilitates handling and purification, making it ideal for medicinal chemistry campaigns and process development requiring reliable functional group presentation.
Synthesis
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Route1
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110-71-4 -
In-stock
42933-07-3 -
118-92-3
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110-46-3
- ~91%
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In-stock
5043-29-8
References
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ASTRAZENECA AB Patent: WO2004/792 A1, 2003 ; Location in patent: Page 16 ;
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Route2
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In-stock
42933-07-3
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118-92-3
- ~91%
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In-stock
5043-29-8
References
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Ashworth; Bowden; Dembofsky; Levin; Moss; Robinson; Szczur; Virica Organic Process Research and Development, 2003 , vol. 7, # 1 p. 74 - 81
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Route3
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1608-42-0
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In-stock
42933-07-3
- ~95%
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In-stock
5043-29-8
References
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Escudero, Sonia; Perez, Dolores; Guitian, Enrique; Castedo, Luis Tetrahedron Letters, 1997 , vol. 38, # 30 p. 5375 - 5378
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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-P330-P362+P364-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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