Lot numbers can be found on the outside label of a product:
3,5-Dimethyl-1H-pyrrole-2-carbaldehyde
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CAS No. 2199-58-8
- Cat. No. CS-W007816
- Purity≥98%
- MDL No.MFCD00111522
*For research and further manufacturing use only, not for direct human use.
Structure of 2199-58-8
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General Information
- CAS No. 2199-58-8
- Cat. No. CS-W007816
- Purity ≥98%
- MDL No. MFCD00111522
- Storage -20°C, sealed storage, away from moisture
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₉NO
- Molecular Weight 123.15
- Synonym(s) 3,5-dimethylpyrrole-2-carbaldehyde
- SMILES O=CC1=C(C)C=C(C)N1
Description
3,5-Dimethyl-1H-pyrrole-2-carbaldehyde features a sterically hindered pyrrole core with electron-rich character, enabling selective coupling in transition-metal-catalyzed transformations. The aldehyde functionality provides a handle for diversification via nucleophilic addition or condensation reactions. This bench-stable reagent integrates efficiently into synthetic routes requiring aromatic heterocycles with tunable electronic properties.
Application
3,5-Dimethyl-1H-pyrrole-2-carbaldehyde serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrrole scaffolds. Its aldehyde functionality facilitates nucleophilic additions and condensation reactions, while the electron-donating methyl groups enhance stability and modulate reactivity. The compound exhibits excellent bench stability and is compatible with standard purification techniques, making it well-suited for iterative synthesis workflows in medicinal chemistry and materials science.
Synthesis
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Route1
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In-stock
625-82-1 - ~80%
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In-stock
2199-58-8
References
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Bristol Myers Squibb Company Patent: US6982265 B1, 2006 ; Location in patent: Page/Page column 28 ;
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Route2
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In-stock
625-82-1
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68-12-2 - ~89%
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In-stock
2199-58-8
References
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Wu, Liangxing; Burgess, Kevin Chemical Communications, 2008 , # 40 p. 4933 - 4935
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Route3
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In-stock
625-82-1
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75-34-3
- ~90%
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In-stock
2199-58-8
References
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Sugen, Inc. Patent: US6147106 A1, 2000 ; US 6147106 A
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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-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 32.86
- LogP 1.44404
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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