Lot numbers can be found on the outside label of a product:
5-Bromo-3-methylbenzofuran-2-carboxylic acid
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CAS No. 50638-08-9
- Cat. No. CS-0062562
- Purity≥97%
- MDL No.MFCD03965820
*For research and further manufacturing use only, not for direct human use.
Structure of 50638-08-9
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General Information
- CAS No. 50638-08-9
- Cat. No. CS-0062562
- Purity ≥97%
- MDL No. MFCD03965820
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₇BrO₃
- Molecular Weight 255.06
- Synonym(s) 5-bromo-3-methyl-benzofuran-2-carboxylic Acid
- SMILES O=C(C1=C(C)C2=CC(Br)=CC=C2O1)O
Description
This boronate moiety integrates seamlessly into Suzuki-Miyaura cross-coupling reactions, delivering functionalized heterocycles with high efficiency. The para-bromo substituent enables selective palladium-catalyzed transformations, while the carboxylic acid group provides a handle for derivatization or conjugation. Bench-stable and moisture-tolerant, this compound supports streamlined synthesis in medicinal chemistry and materials science applications.
Application
5-Bromo-3-methylbenzofuran-2-carboxylic acid serves as a versatile building block for the synthesis of functionalized heterocycles and bioactive scaffolds. The carboxylic acid group enables direct amidation, esterification, or coupling reactions, while the bromine atom facilitates palladium-catalyzed cross-couplings. Its methyl substituent provides steric and electronic modulation, enhancing solubility and reactivity in iterative synthetic sequences. Bench-stable and readily purified by recrystallization, it supports efficient downstream transformations in medicinal chemistry and materials development.
Synthesis
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Route1
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34849-50-8 - ~72%
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In-stock
50638-08-9
References
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Wyeth Patent: US2005/143422 A1, 2005 ; Location in patent: Page/Page column 41 ; US 20050143422 A1
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Route2
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In-stock
1450-75-5 - ~%
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In-stock
50638-08-9
References
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Piemontese, Luca; Carbonara, Giuseppe; Fracchiolla, Giuseppe; Laghezza, Antonio; Tortorella, Paolo; Loiodice, Fulvio Heterocycles, 2010 , vol. 81, # 12 p. 2865 - 2872
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Route3
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210772-13-7 - ~%
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In-stock
50638-08-9
References
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Peters; Simonis Chemische Berichte, 1908 , vol. 41, p. 831
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Safety Information
Download SDS|
GHS Pictogram :
N/A
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GHS No : N/A
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Signal Word : N/A
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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 : N/A
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Precautionary Statements : N/A
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Quality Control
Computational Chemistry Data
- TPSA 50.44
- LogP 3.20192
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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