Lot numbers can be found on the outside label of a product:
Methyl 4-iodo-2-pyrrolecarboxylate
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CAS No. 40740-41-8
- Cat. No. CS-0007661
- Purity≥97%
- MDL No.MFCD07368824
*For research and further manufacturing use only, not for direct human use.
Structure of 40740-41-8
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General Information
- CAS No. 40740-41-8
- Cat. No. CS-0007661
- Purity ≥97%
- MDL No. MFCD07368824
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₆INO₂
- Molecular Weight 251.02
- Synonym(s) Methyl 4-iodo-1H-pyrrole-2-carboxylate
- SMILES O=C(C1=CC(I)=CN1)OC
Description
Methyl 4-iodo-2-pyrrolecarboxylate is a bench-stable, moisture-tolerant building block featuring a strategically positioned iodine atom at the C4 position of a pyrrole ring. This electrophilic handle enables efficient cross-coupling reactions in late-stage functionalization, particularly in Suzuki-Miyaura and Negishi protocols. The methyl ester group provides synthetic versatility for further derivatization, while the electron-deficient pyrrole core enhances reactivity in transition metal-catalyzed transformations.
Application
Methyl 4-iodo-2-pyrrolecarboxylate serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its well-defined iodo functionality. The pyrrole core provides a platform for further functionalization, while the methyl ester offers compatibility with standard deprotection and derivatization protocols. Bench-stable and readily purified by column chromatography, it facilitates efficient access to substituted pyrrole scaffolds relevant to medicinal chemistry and materials science.
Synthesis
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Route1
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72652-33-6 - ~95%
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In-stock
40740-41-8
References
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Wyeth Patent: US2007/4786 A1, 2007 ; Location in patent: Page/Page column 42-43 ; US 20070004786 A1
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Route2
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In-stock
1193-62-0 - ~84%
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In-stock
40740-41-8
References
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Zhou, Cong-Ying; Li, Jing; Peddibhotla, Satyamaheshwar; Romo, Daniel Organic Letters, 2010 , vol. 12, # 9 p. 2104 - 2107
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Route3
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67-56-1 -
72652-33-6
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124-41-4
- ~98%
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In-stock
40740-41-8
References
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VERTEX PHARMACEUTICALS, INCORPORATED Patent: WO2005/113541 A1, 2005 ; Location in patent: Paragraph 0089 ; WO 2005/113541 A1
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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+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 42.09
- LogP 1.4059
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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