Lot numbers can be found on the outside label of a product:
3-Iodobenzeneacetic acid
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CAS No. 1878-69-9
- Cat. No. CS-W008629
- Purity≥98%
- MDL No.MFCD00046548
*For research and further manufacturing use only, not for direct human use.
Structure of 1878-69-9
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General Information
- CAS No. 1878-69-9
- Cat. No. CS-W008629
- Purity ≥98%
- MDL No. MFCD00046548
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇IO₂
- Molecular Weight 262.04
- Synonym(s) (m-Iodophenyl)acetic acid; 2-(3-Iodophenyl)acetic acid; 3-Iodophenylacetic acid; m-Iodobenzeneacetic acid
- SMILES O=C(O)CC1=CC=CC(I)=C1
Description
3-Iodobenzeneacetic acid features a para-iodinated benzene ring linked to a carboxylic acid group, enabling direct functionalization in cross-coupling reactions. The iodine moiety serves as a high-reactivity handle for palladium-catalyzed transformations, while the acetic acid side chain provides polarity and solubility under standard conditions. This structure supports efficient incorporation into bioactive molecules and advanced materials synthesis.
Application
3-Iodobenzeneacetic acid serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions such as Suzuki-Miyaura and Stille couplings. Its iodide functionality offers high reactivity under standard conditions, while the benzoic acid group provides a handle for derivatization and structural diversification. The compound exhibits good bench stability and is compatible with common purification methods, making it well-suited for use in medicinal chemistry and process development workflows.
Synthesis
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Route1
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130723-54-5 - ~85%
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In-stock
1878-69-9
References
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Dublanchet, Anne-Claude; Compere, Delphine; Cluzeau, Philippe; Blais, Stephane; Denis, Alexis; Ducrot, Pierre; Courte, Karine; Descamps, Sophie Patent: US2004/72871 A1, 2004 ; Location in patent: Page/Page column 19 ;
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Route2
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201230-82-2 -
In-stock
49617-83-6 - ~96%
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In-stock
1878-69-9
References
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Giroux; Nadeau; Han Tetrahedron Letters, 2000 , vol. 41, # 40 p. 7601 - 7604
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Route3
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In-stock
14338-36-4 - ~91%
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In-stock
1878-69-9
References
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Fattorusso, Caterina; Gemma, Sandra; Butini, Stefania; Huleatt, Paul; Catalanotti, Bruno; Persico, Marco; De Angelis, Meri; Fiorini, Isabella; Nacci, Vito; Ramunno, Anna; Rodriquez, Manuela; Greco, Giovanni; Novellino, Ettore; Bergamini, Alberto; Marini, Stefano; Coletta, Massimo; Maga, Giovanni; Spadari, Silvio; Campiani, Giuseppe Journal of Medicinal Chemistry, 2005 , vol. 48, # 23 p. 7153 - 7165
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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 : H315-H319-H335
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Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 37.3
- LogP 1.9183
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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