Lot numbers can be found on the outside label of a product:
Methyl 4-methyl-1H-pyrrole-3-carboxylate
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CAS No. 40318-15-8
- Cat. No. CS-0049030
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 40318-15-8
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General Information
- CAS No. 40318-15-8
- Cat. No. CS-0049030
- Purity ≥98%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₉NO₂
- Molecular Weight 139.15
- Synonym(s) 4-Methyl-1H-pyrrole-3-carboxylic acid methyl ester
- SMILES COC(=O)C1=CNC=C1C
Description
Methyl 4-methyl-1H-pyrrole-3-carboxylate is a bench-stable, moisture-tolerant heterocyclic ester featuring a methyl-substituted pyrrole core. This electron-rich scaffold integrates readily into synthetic sequences requiring stable, functionalized building blocks for medicinal chemistry and materials development.
Application
Methyl 4-methyl-1H-pyrrole-3-carboxylate serves as a versatile heterocyclic building block in synthetic organic chemistry, enabling efficient access to substituted pyrroles via standard functional group manipulations. The methyl ester facilitates downstream transformations such as hydrolysis or reduction, while the 4-methyl substituent provides steric and electronic modulation. Its bench-stable nature and compatibility with common coupling reactions make it well-suited for medicinal chemistry and process development workflows.
Synthesis
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Route1
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623-43-8 -
38622-91-2
- ~25%
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In-stock
40318-15-8
References
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Takeda Pharmaceutical Company Limited Patent: EP2005957 A1, 2008 ; Location in patent: Page/Page column 44 ;
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Route2
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In-stock
2199-49-7 - ~%
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In-stock
40318-15-8
References
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Nicolaus; Mangoni Gazzetta Chimica Italiana, 1955 , vol. 85, p. 1378,1392 Annali di Chimica (Rome, Italy), 1956 , vol. 46, p. 847,855
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Route3
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90610-58-5
- ~%
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In-stock
40318-15-8
References
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Nicolaus; Mangoni Gazzetta Chimica Italiana, 1955 , vol. 85, p. 1378,1392 Annali di Chimica (Rome, Italy), 1956 , vol. 46, p. 847,855
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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 1.10972
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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