Lot numbers can be found on the outside label of a product:
Methyl 5-iodo-2-methoxybenzoate
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CAS No. 40757-09-3
- Cat. No. CS-0131315
- Purity≥98%
- MDL No.MFCD02683862
*For research and further manufacturing use only, not for direct human use.
Structure of 40757-09-3
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General Information
- CAS No. 40757-09-3
- Cat. No. CS-0131315
- Purity ≥98%
- MDL No. MFCD02683862
- Storage RT, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₉IO₃
- Molecular Weight 292.07
- Synonym(s) None
- SMILES O=C(OC)C1=CC(I)=CC=C1OC
Description
Methyl 5-iodo-2-methoxybenzoate features a sterically hindered, electron-deficient aromatic core with orthogonal methoxy and iodide substituents. This configuration enables selective cross-coupling reactions under standard conditions, delivering complex heterocyclic scaffolds with high functional group tolerance. The methyl ester facilitates downstream derivatization, while the para-positioned iodide ensures efficient palladium-catalyzed transformations.
Application
Methyl 5-iodo-2-methoxybenzoate serves as a versatile building block in transition-metal-catalyzed cross-coupling reactions, enabling efficient access to substituted aromatic scaffolds. The iodide group facilitates reliable coupling with boronic acids, stannanes, and amines under standard Pd-catalyzed conditions, while the methoxy and ester functionalities provide orthogonal handles for further derivatization. Bench-stable and readily purified by flash chromatography, it supports scalable synthesis of complex intermediates for medicinal chemistry and materials applications.
Synthesis
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Route1
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In-stock
119-30-2 -
77-78-1 - ~99%
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In-stock
40757-09-3
References
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Bai, Suping; Li, Shihong; Xu, Jinbin; Peng, Xin; Sai, Kiran; Chu, Wenhua; Tu, Zhude; Zeng, Chenbo; Mach, Robert H. Journal of Medicinal Chemistry, 2014 , vol. 57, # 10 p. 4239 - 4251
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Route2
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490-79-9 -
77-78-1
- ~76%
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In-stock
40757-09-3
References
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PURDUE RESEARCH FOUNDATION Patent: US2008/300288 A1, 2008 ; Location in patent: Page/Page column 24; 11 ;
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Route3
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In-stock
4068-75-1 -
74-88-4
- ~95%
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In-stock
40757-09-3
References
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Chowdhury, Morshed A.; Abdellatif, Khaled R.A.; Dong, Ying; Das, Dipankar; Yu, Gang; Velazquez, Carlos A.; Suresh, Mavanur R.; Knaus, Edward E. Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 24 p. 6855 - 6861
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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 35.53
- LogP 2.0864
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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