Lot numbers can be found on the outside label of a product:
2-Bromo-4-methoxy-1-nitrobenzene
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CAS No. 98447-30-4
- Cat. No. CS-W005563
- Purity≥96%
- MDL No.MFCD06797977
*For research and further manufacturing use only, not for direct human use.
Structure of 98447-30-4
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General Information
- CAS No. 98447-30-4
- Cat. No. CS-W005563
- Purity ≥96%
- MDL No. MFCD06797977
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₆BrNO₃
- Molecular Weight 232.03
- Synonym(s) 3-Methoxy-6-nitrobromobenzene
- SMILES O=[N+]([O-])C1=CC=C(C=C1Br)OC
Description
2-Bromo-4-methoxy-1-nitrobenzene features a nitro group at the para position relative to the methoxy substituent, creating a strongly electron-deficient aromatic ring. This configuration enables efficient coupling reactions in cross-coupling protocols. The bromine atom serves as a reliable handle for palladium-catalyzed transformations, while the methoxy group enhances solubility and stabilizes intermediates under reaction conditions.
Application
2-Bromo-4-methoxy-1-nitrobenzene serves as a versatile building block in cross-coupling reactions and heterocycle synthesis, enabling efficient access to substituted anilines and biaryl architectures. The bromo group facilitates palladium-catalyzed coupling, while the nitro and methoxy functionalities offer orthogonal reactivity for sequential transformations. Its bench-stable nature and compatibility with standard synthetic protocols make it ideal for medicinal chemistry and process development workflows.
Synthesis
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Route1
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In-stock
5470-65-5 -
74-88-4 - ~96%
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In-stock
98447-30-4
References
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Wright; Shulkind; Jones; Thompson Tetrahedron Letters, 1987 , vol. 28, # 50 p. 6389-6390
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Route2
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67-56-1
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In-stock
700-36-7 - ~%
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In-stock
98447-30-4
References
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GALAPAGOS NV; MENET, Christel Jeanne Marie; SCHMITT, Benoît Antoine; GENEY, Raphaël Jean Joël; DOYLE, Kevin James; PEACH, Joanne; PALMER, Nicholas John; JONES, Graham Peter; HARDY, David; DUFFY, James Edward Stewart Patent: WO2013/117645 A1, 2013 ; Location in patent: Paragraph 00513 ;
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Route3
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In-stock
1882-69-5 - ~24%
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In-stock
98447-30-4
References
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Luo, Yong; Pan, Xiaolin; Wu, Jie Tetrahedron Letters, 2010 , vol. 51, # 50 p. 6646 - 6648
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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 52.37
- LogP 2.3659
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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