Lot numbers can be found on the outside label of a product:
Ethyl nitroacetate
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CAS No. 626-35-7
- Cat. No. CS-0000037
- Purity≥96%
- MDL No.MFCD00007403
*For research and further manufacturing use only, not for direct human use.
Structure of 626-35-7
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General Information
- CAS No. 626-35-7
- Cat. No. CS-0000037
- Purity ≥96%
- MDL No. MFCD00007403
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₄H₇NO₄
- Molecular Weight 133.10
- Synonym(s) None
- SMILES O=C(OCC)C[N+]([O-])=O
Description
Ethyl nitroacetate has been used in:synthesis of -oxoacids via Michael addition reaction with ,-unsaturated ketonesfuctionalization of C4-position on pyrimidine and C6-position on 2-deoxyguanosine to produce novel nucleosides facile synthesis of ,-diisobutylglycinesynthesis of DL-4,4-difluoroglutamic acid
Application
Ethyl nitroacetate serves as a versatile synthon in organic synthesis, enabling efficient access to α-nitro carbonyl compounds and nitroalkanes through standard condensation and reduction protocols. Its bench-stable nature and compatibility with diverse functional groups facilitate reliable use in multistep sequences, particularly in the construction of heterocyclic scaffolds and nitrogen-containing building blocks for medicinal chemistry applications.
Synthesis
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Route1
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In-stock
623-49-4 - ~84%
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In-stock
626-35-7
References
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W. R. Grace and Co.-Conn. Patent: US4873358 A1, 1989 ;
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Route2
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64-17-5 -
625-75-2
- ~91%
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In-stock
626-35-7
References
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Sylvain, Catherine; Wagner, Alain; Mioskowski, Charles Tetrahedron Letters, 1999 , vol. 40, # 5 p. 875 - 878
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Route3
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105-36-2
- ~65%
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In-stock
626-35-7
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In-stock
623-50-7
References
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Organic Letters, , vol. 4, # 6 p. 965 - 968
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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-H319-H335
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Precautionary Statements : P260-P264-P270-P271-P280-P301+P310-P304+P340-P305+P351+P338-P312-P330-P337+P313-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 69.44
- LogP -0.1738
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 3
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