Lot numbers can be found on the outside label of a product:
Methyl 4-nitro-1H-pyrrole-2-carboxylate
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CAS No. 13138-74-4
- Cat. No. CS-0061831
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 13138-74-4
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General Information
- CAS No. 13138-74-4
- Cat. No. CS-0061831
- Purity ≥98%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₆N₂O₄
- Molecular Weight 170.12
- Synonym(s) 4-Nitropyrrole-2-carboxylicAcidMethylEste
- SMILES COC(=O)C1=CC(=CN1)[N+](=O)[O-]
Description
Methyl 4-nitro-1H-pyrrole-2-carboxylate features a pyrrole core bearing a nitro group at the C4 position and a methyl ester at C2, delivering a potent electron-deficient heterocyclic scaffold. This combination enhances reactivity in cross-coupling and cycloaddition processes, enabling efficient integration into complex molecular architectures under standard conditions.
Application
Methyl 4-nitro-1H-pyrrole-2-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrroles via selective reduction and functionalization. The nitro group facilitates downstream transformations such as reductive amination or coupling reactions, while the ester moiety supports orthogonal manipulation. Its bench-stable nature and compatibility with standard reaction conditions make it well-suited for iterative synthesis workflows in medicinal chemistry and process development.
Synthesis
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Route1
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67-56-1 -
53391-50-7 -
124-41-4
- ~98%
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In-stock
13138-74-4
References
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BIOCRYST PHARMACEUTICALS, INC.; BABU, Yarlagadda, S.; KOTIAN, Pravin, L.; WU, Minwan Patent: WO2011/150356 A1, 2011 ; Location in patent: Page/Page column 93 ; WO 2011/150356 A1
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Route2
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53391-50-7
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124-41-4
- ~98%
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In-stock
13138-74-4
References
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BIOCRYST PHARMACEUTICALS, INC.; BABU, Yarlagadda S.; KOTIAN, Pravin L.; KUMAR, V. Satish; WU, Minwan; LIN, Tsu-Hsing Patent: WO2011/14817 A1, 2011 ; Location in patent: Page/Page column 104 ; WO 2011/014817 A1
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Route3
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40824-82-6
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616-34-2 - ~72%
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In-stock
13138-74-4
References
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Hotzel, Christian; Marotto, Annalisa; Pindur, Ulf European Journal of Medicinal Chemistry, 2002 , vol. 37, # 5 p. 367 - 378
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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 85.23
- LogP 0.7095
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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