Lot numbers can be found on the outside label of a product:
Diethyl phenylmalonate
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CAS No. 83-13-6
- Cat. No. CS-0036888
- Purity≥98%
- MDL No.MFCD00009144
*For research and further manufacturing use only, not for direct human use.
Structure of 83-13-6
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General Information
- CAS No. 83-13-6
- Cat. No. CS-0036888
- Purity ≥98%
- MDL No. MFCD00009144
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₃H₁₆O₄
- Molecular Weight None
- Synonym(s) Phenylpropanedioic acid diethyl ester; Diethyl phenylmalonate
- SMILES CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC
Description
Diethyl phenylmalonate serves as a key synthon in C–C bond formation, featuring a stabilized enolate derived from its α-methylene group. The phenyl substituent imparts electronic and steric control, enabling selective alkylation under mild conditions. This bench-stable diester integrates efficiently into multistep sequences for complex molecular architectures.
Application
Diethyl phenylmalonate serves as a versatile synthon in organic synthesis, enabling the efficient construction of substituted acetic acid derivatives and cyclopropanes via standard malonate alkylation and cycloaddition protocols. Its bench-stable nature and compatibility with a broad range of nucleophiles facilitate straightforward functionalization, while the phenyl group enhances stability and provides a handle for downstream transformations. Functions reliably in standard enolate-mediated coupling reactions and serves as a key building block for bioactive heterocycles and pharmaceutical intermediates.
Synthesis
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Route1
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140-29-4 - ~%
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In-stock
83-13-6
References
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Journal of the American Chemical Society, , vol. 50, p. 2761
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Route2
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101-97-3
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95-92-1
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In-stock
83-13-6
References
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Journal of the American Chemical Society, , vol. 59, p. 322 US2358063 , ;
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Route3
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In-stock
4553-07-5 - ~%
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In-stock
83-13-6
References
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Journal of the American Chemical Society, , vol. 50, p. 2761
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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 52.6
- LogP 1.8964
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 5
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Key Words
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