Lot numbers can be found on the outside label of a product:
Methyl 3-bromo-4-iodobenzoate
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CAS No. 249647-24-3
- Cat. No. CS-W014281
- Purity≥96%
- MDL No.MFCD07778512
*For research and further manufacturing use only, not for direct human use.
Structure of 249647-24-3
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General Information
- CAS No. 249647-24-3
- Cat. No. CS-W014281
- Purity ≥96%
- MDL No. MFCD07778512
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₆BrIO₂
- Molecular Weight 340.94
- Synonym(s) 3-Bromo-4-Iodobenzoic Acid Methyl Ester
- SMILES COC(=O)C1=CC(Br)=C(I)C=C1
Description
Methyl 3-bromo-4-iodobenzoate features a dual halogenated aromatic core, enabling efficient cross-coupling reactions in synthetic organic chemistry. The strategically positioned bromo and iodo groups facilitate sequential functionalization, while the methyl ester provides a handle for further derivatization. This compound offers high reactivity under standard palladium-catalyzed conditions and demonstrates excellent stability under routine handling.
Application
Methyl 3-bromo-4-iodobenzoate serves as a versatile dihalogenated aromatic building block for palladium-catalyzed cross-coupling reactions. The bromo and iodo substituents enable sequential functionalization via orthogonal reactivity, facilitating the synthesis of complex biaryl systems and substituted heterocycles. Its bench-stable nature and compatibility with standard coupling conditions make it well-suited for iterative synthesis in medicinal chemistry and materials science applications.
Synthesis
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Route1
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In-stock
106896-49-5 - ~81%
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In-stock
249647-24-3
References
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Garcia-Fortanet, Jorge; Buchwald, Stephen L. Angewandte Chemie - International Edition, 2008 , vol. 47, # 42 p. 8108 - 8111
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Route2
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In-stock
619-44-3 - ~99%
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In-stock
249647-24-3
References
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Vu, Chi B.; Corpuz, Evelyn G.; Merry, Taylor J.; Pradeepan, Selvaluxmi G.; Bartlett, Catherine; Bohacek, Regine S.; Botfield, Martyn C.; Eyermann, Charles J.; Lynch, Berkley A.; MacNeil, Ian A.; Ram, Mary K.; Van Schravendijk, Marie Rose; Violette, Shelia; Sawyer, Tomi K. Journal of Medicinal Chemistry, 1999 , vol. 42, # 20 p. 4088 - 4098
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Route3
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In-stock
6311-37-1 - ~%
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In-stock
249647-24-3
References
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Organic and Biomolecular Chemistry, , vol. 10, # 25 p. 4907 - 4915
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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 2.8403
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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