Lot numbers can be found on the outside label of a product:
Ethyl 2-methyl-1H-pyrrole-3-carboxylate
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CAS No. 936-12-9
- Cat. No. CS-D1657
- Purity≥97%
- MDL No.MFCD00101795
*For research and further manufacturing use only, not for direct human use.
Structure of 936-12-9
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General Information
- CAS No. 936-12-9
- Cat. No. CS-D1657
- Purity ≥97%
- MDL No. MFCD00101795
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₁₁NO₂
- Molecular Weight None
- Synonym(s) 2-Methyl-1H-pyrrole-3-carboxylic acid ethyl ester; 3-(Ethoxycarbonyl)-2-methylpyrrole; 3-Ethoxycarbonyl-2-methyl-1H-pyrrole; Ethyl 2-methylpyrrole-3-carboxylate; NSC 81361; 1H-pyrrole-3-carboxylic acid, 2-methyl-, ethyl ester
- SMILES O=C(C1=C(C)NC=C1)OCC
Description
Ethyl 2-methyl-1H-pyrrole-3-carboxylate serves as a versatile heterocyclic building block in synthetic organic chemistry. Featuring a methyl-substituted pyrrole core and an ester handle, it enables efficient access to functionalized pyrrolidines and fused polycycles under standard conditions. The electron-rich aromatic system supports palladium-catalyzed couplings and conjugate additions.
Application
Ethyl 2-methyl-1H-pyrrole-3-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrroles via standard functional group transformations. Its stability under routine reaction conditions and compatibility with palladium-catalyzed couplings facilitate downstream derivatization. The ester functionality allows for selective hydrolysis or reduction, while the methyl group provides a handle for further alkylation or oxidation, making it well-suited for medicinal chemistry and process development workflows.
Synthesis
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Route1
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24442-57-7 -
In-stock
141-97-9 - ~73%
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In-stock
936-12-9
References
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Cambie, R.C.; Moratti, S.C.; Rutledge, P.S.; Woodgate, P.D. Synthetic Communications, 1990 , vol. 20, # 13 p. 1923 - 1929
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Route2
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In-stock
141-97-9
- ~34%
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In-stock
936-12-9
References
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Takeda Pharmaceutical Company Limited Patent: US2007/60623 A1, 2007 ; Location in patent: Page/Page column 23 ;
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Route3
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136814-21-6 - ~76%
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In-stock
936-12-9
References
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Aoyagi, Yutaka; Mizusaki, Toshihiko; Shishikura, Masahiro; Komine, Takashi; Yoshinaga, Tokuji; Inaba, Haruko; Ohta, Akihiro; Takeya, Koichi Tetrahedron, 2006 , vol. 62, # 36 p. 8533 - 8538
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07,GHS05
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Signal Word : Danger
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UN#: 1759
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Class : 8
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Packing Group : Ⅲ
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Hazard Statements : H315-H318-H335
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Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P312-P332+P313-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 42.09
- LogP 1.49982
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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