Lot numbers can be found on the outside label of a product:
Ethyl hydrazinecarboxylate
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CAS No. 4114-31-2
- Cat. No. CS-W008412
- Purity≥97%
- MDL No.MFCD00007595
*For research and further manufacturing use only, not for direct human use.
Structure of 4114-31-2
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General Information
- CAS No. 4114-31-2
- Cat. No. CS-W008412
- Purity ≥97%
- MDL No. MFCD00007595
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₃H₈N₂O₂
- Molecular Weight 104.11
- Synonym(s) Hydrazinoformic acid ethyl ester
- SMILES NNC(OCC)=O
Description
Ethyl hydrazinecarboxylate serves as a key intermediate in the synthesis of heterocyclic compounds, particularly pyrazoles and triazoles. The molecule features a hydrazine moiety linked to an ester-functionalized carbon chain, enabling efficient coupling reactions under mild conditions. This combination imparts high reactivity while maintaining bench stability, facilitating its use in diverse medicinal chemistry applications.
Application
Ethyl hydrazinecarboxylate serves as a reliable precursor for hydrazine-based heterocycles, enabling efficient synthesis of pyrazoles and triazoles under mild conditions. Its bench-stable nature and compatibility with diverse functional groups facilitate straightforward purification and integration into multistep synthetic sequences. Functions as a key building block in the construction of bioactive scaffolds via condensation and cyclization reactions.
Synthesis
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Route1
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105-58-8 - ~96%
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In-stock
4114-31-2
References
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Tan, Cheng-Xia; Shi, Yan-Xia; Weng, Jian-Quan; Liu, Xing-Hai; Zhao, Wei-Guang; Li, Bao-Ju Journal of Heterocyclic Chemistry, 2014 , vol. 51, # 3 p. 690 - 694
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Route2
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541-41-3
- ~86%
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In-stock
4114-31-2
References
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Deshmukh; Jagtap; Suryavanshi; Jadhav; Anbhule Journal of the Indian Chemical Society, 2009 , vol. 86, # 6 p. 613 - 616
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Route3
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16208-36-9
- ~%
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100-52-7
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In-stock
4114-31-2
References
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FIRMENICH SA; UNIVERSITE LOUIS PASTEUR; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE Patent: WO2006/16248 A1, 2006 ; Location in patent: Page/Page column 34-38 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS06
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Signal Word : Danger
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UN#: 2811
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Class : 6.1
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Packing Group : Ⅲ
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Hazard Statements : H301-H315-H319-H335
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Precautionary Statements : P264-P270-P330-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 64.35
- LogP -0.3938
- H_Acceptors 3
- H_Donors 2
- Rotatable_Bonds 1
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