Lot numbers can be found on the outside label of a product:
Diethyl 1H-pyrrole-2,4-dicarboxylate
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CAS No. 55942-40-0
- Cat. No. CS-0052151
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 55942-40-0
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General Information
- CAS No. 55942-40-0
- Cat. No. CS-0052151
- Purity ≥98%
- MDL No. None
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₃NO₄
- Molecular Weight 211.21
- Synonym(s) None
- SMILES CCOC(=O)C1=CC(=CN1)C(=O)OCC
Description
Diethyl 1H-pyrrole-2,4-dicarboxylate features a pyrrole core with two ester-functionalized positions, enabling direct incorporation into heterocyclic syntheses. This bench-stable reagent facilitates the construction of complex nitrogen-containing scaffolds through cycloaddition and coupling reactions, offering predictable regioselectivity in multistep transformations.
Application
Diethyl 1H-pyrrole-2,4-dicarboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrroles via standard decarboxylation, alkylation, and transition-metal-catalyzed coupling reactions. Its dual ester functionality offers orthogonal reactivity for sequential functionalization, while the electron-deficient pyrrole core enhances stability and compatibility with diverse reaction conditions. The compound exhibits excellent bench stability and straightforward purification, making it well-suited for scalable synthetic applications in medicinal chemistry and materials science.
Synthesis
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Route1
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2999-46-4 -
623-47-2
- ~70%
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In-stock
55942-40-0
References
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Kamijo, Shin; Kanazawa, Chikashi; Yamamoto, Yoshinori Journal of the American Chemical Society, 2005 , vol. 127, # 25 p. 9260 - 9266
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Route2
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50-00-0
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2999-46-4
- ~26%
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In-stock
55942-40-0
References
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BRISTOL-MYERS SQUIBB COMPANY; WROBLESKI, Stephen T.; JAGABANDHU, Das; DOWEYKO, Lidia M.; GUO, Junqing; HYNES, John; JIANG, Bin; KEMPSON, James; LIN, Shuqun; SPERGEL, Steven H.; TOKARSKI, John S.; WU, Hong; YANG, Bingwei Vera Patent: WO2012/125887 A1, 2012 ; Location in patent: Page/Page column 68-69 ; WO 2012/125887 A1
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Route3
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2999-46-4
- ~37%
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In-stock
55942-40-0
References
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Salvati, Mark E.; Illig, Carl R.; Wilson, Kenneth Jerome; Chen, Jinsheng; Meegalla, Sanath K.; Wall, Mark James Patent: US2004/209886 A1, 2004 ;
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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 68.39
- LogP 1.3681
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 4
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Key Words
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