Lot numbers can be found on the outside label of a product:
Methyl 4-formyl-1H-pyrrole-2-carboxylate
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CAS No. 40611-79-8
- Cat. No. CS-0099218
- Purity≥96%
- MDL No.MFCD02179575
*For research and further manufacturing use only, not for direct human use.
Structure of 40611-79-8
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General Information
- CAS No. 40611-79-8
- Cat. No. CS-0099218
- Purity ≥96%
- MDL No. MFCD02179575
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₇NO₃
- Molecular Weight None
- Synonym(s) 4-Formylpyrrole-2-carboxylic acid methyl ester
- SMILES O=C(C1=CC(C=O)=CN1)OC
Description
Methyl 4-formyl-1H-pyrrole-2-carboxylate features a pyrrole core with strategically positioned formyl and ester groups, enabling direct incorporation into heterocyclic scaffolds. The electron-deficient pyrrole ring supports efficient transition metal-catalyzed coupling reactions, while the formyl moiety offers a versatile handle for reductive amination or condensation chemistry. This bench-stable reagent streamlines access to complex nitrogen-containing architectures in synthetic and medicinal chemistry workflows.
Application
Methyl 4-formyl-1H-pyrrole-2-carboxylate serves as a versatile heterocyclic building block for medicinal chemistry and materials synthesis. The ortho-aldehyde and ester functionalities enable sequential functionalization, including reductive amination, Suzuki-Miyaura coupling, and condensation reactions. Bench-stable and readily purified by column chromatography, it facilitates efficient access to substituted pyrroles and fused polycyclic scaffolds relevant to API development.
Synthesis
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Route1
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In-stock
1193-62-0 -
4885-02-3 - ~80%
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In-stock
40611-79-8
References
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Carter, Paul; Fitzjohn, Steven; Halazy, Serge; Magnus, Philip Journal of the American Chemical Society, 1987 , vol. 109, # 9 p. 2711 - 2717
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References
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Schmuck, Carsten Tetrahedron, 2001 , vol. 57, # 15 p. 3063 - 3067
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References
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SEPRACOR INC. Patent: WO2008/89453 A2, 2008 ; Location in patent: Page/Page column 94-95 ;
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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 59.16
- LogP 0.6138
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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