Lot numbers can be found on the outside label of a product:
Methyl 3-chloro-1H-pyrrole-2-carboxylate
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CAS No. 226410-00-0
- Cat. No. CS-W003912
- Purity≥98%
- MDL No.MFCD20661619
*For research and further manufacturing use only, not for direct human use.
Structure of 226410-00-0
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General Information
- CAS No. 226410-00-0
- Cat. No. CS-W003912
- Purity ≥98%
- MDL No. MFCD20661619
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₆ClNO₂
- Molecular Weight 159.57
- Synonym(s) Methyl 3-Chloropyrrole-2-carboxylate
- SMILES COC(=O)c1[nH]ccc1Cl
Description
Methyl 3-chloro-1H-pyrrole-2-carboxylate features a chlorinated pyrrole core with a methyl ester at the C2 position, enabling direct incorporation into heterocyclic synthesis. The electron-deficient pyrrole ring facilitates electrophilic substitution and serves as a key building block in medicinal chemistry scaffolds. This bench-stable reagent offers predictable reactivity under standard conditions for coupling and functionalization workflows.
Application
Methyl 3-chloro-1H-pyrrole-2-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrroles via palladium-catalyzed cross-coupling and nucleophilic substitution reactions. The chloro group at the C3 position offers high reactivity for functionalization, while the ester moiety provides stability and ease of purification. Its bench-stable nature and compatibility with diverse reaction conditions make it ideal for medicinal chemistry and process development workflows.
Synthesis
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Route1
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872-32-2 - ~15%
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In-stock
226410-00-0
References
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SMITHKLINE BEECHAM CORPORATION Patent: WO2008/154271 A1, 2008 ; Location in patent: Page/Page column 143 ;
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Route2
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226409-94-5
- ~83%
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In-stock
226410-00-0
References
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Gruenenthal GmbH Patent: US2010/222324 A1, 2010 ; Location in patent: Page/Page column 48 ; US 20100222324 A1
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Route3
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124-41-4
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226409-94-5
- ~%
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In-stock
226410-00-0
References
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US2013/267521 A1, ; Paragraph 1077 ;
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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 42.09
- LogP 1.4547
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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