Lot numbers can be found on the outside label of a product:
Methyl 4-bromo-1-methyl-1H-pyrrole-2-carboxylate
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CAS No. 1196-90-3
- Cat. No. CS-0037227
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 1196-90-3
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General Information
- CAS No. 1196-90-3
- Cat. No. CS-0037227
- Purity ≥98%
- MDL No. None
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₈BrNO₂
- Molecular Weight 218.05
- Synonym(s) None
- SMILES CN1C=C(C=C1C(=O)OC)Br
Description
Methyl 4-bromo-1-methyl-1H-pyrrole-2-carboxylate features a brominated pyrrole core with a methyl ester at the C2 position, enabling direct incorporation into cross-coupling and cyclization reactions. The electron-deficient pyrrole ring facilitates nucleophilic substitution, while the bench-stable ester group supports straightforward derivatization in synthetic workflows.
Application
Methyl 4-bromo-1-methyl-1H-pyrrole-2-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its well-defined bromine handle. The methylpyrrole core offers enhanced stability and favorable solubility, while the ester group allows for selective transformations. This compound facilitates efficient access to substituted pyrrole scaffolds relevant in medicinal chemistry and agrochemical development, with predictable reactivity under standard conditions.
Synthesis
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Route1
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124-41-4 -
184643-69-4 - ~95%
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In-stock
1196-90-3
References
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SPIROGEN SÀRL; UCL BUSINESS PLC; HOWARD, Philip Wilson; THURSTON, David; RAHMAN, Khondaker Mirazur Patent: WO2013/164593 A1, 2013 ; Location in patent: Page/Page column 42 ;
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Route2
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67-56-1
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184643-69-4
- ~94%
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In-stock
1196-90-3
References
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Rahman, Khondaker M.; Jackson, Paul J. M.; James, Colin H.; Basu, B. Piku; Hartley, John A.; De La Fuente, Maria; Schatzlein, Andreas; Robson, Mathew; Pedley, R. Barbara; Pepper, Chris; Fox, Keith R.; Howard, Philip W.; Thurston, David E. Journal of Medicinal Chemistry, 2013 , vol. 56, # 7 p. 2911 - 2935
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Route3
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In-stock
21898-65-7 - ~%
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In-stock
1196-90-3
References
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Journal of Organic Chemistry, , vol. 69, # 23 p. 8151 - 8153
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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 31.23
- LogP 1.5742
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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