Description

Diethyl Diethylmalonate (CAS No. 77-25-8) is a high-purity ester compound with the molecular formula C₁₁H₂₀O₄, widely utilized in organic synthesis and pharmaceutical research. This versatile malonate derivative serves as a critical building block for the preparation of complex molecules, including active pharmaceutical ingredients (APIs), agrochemicals, and specialty chemicals. Its diethyl functional groups enhance solubility in organic solvents, making it ideal for nucleophilic substitution, condensation, and alkylation reactions. With a purity of ≥98%, our product ensures consistent performance in laboratory and industrial applications. Packaged under inert conditions to maintain stability, Diethyl Diethylmalonate is an essential reagent for researchers and scientists working in fine chemical synthesis.

Properties

• CAS Number: 77-25-8
• Complexity: 199
• IUPAC Name: diethyl 2,2-diethylpropanedioate
• InChI: InChI=1S/C11H20O4/c1-5-11(6-2,9(12)14-7-3)10(13)15-8-4/h5-8H2,1-4H3
• InChI Key: ZKBBUZRGPULIRN-UHFFFAOYSA-N
• Exact Mass: 216.13615911
• Molecular Formula: C11H20O4
• Molecular Weight: 216.27
• SMILES: CCC(CC)(C(=O)OCC)C(=O)OCC
• Topological: 52.6
• Monoisotopic Mass: 216.13615911
• Synonyms: Diethyl diethylmalonate, Diethyl 2,2-diethylmalonate, Propanedioic acid, diethyl-, diethyl ester, Diethylmalonic ester, Diethylmalonic acid diethyl ester, Diethylmalonate diethyl ester, Diethyl 3,3-pentanedicarboxylate, Diethylmalonic acid, diethyl ester, UNII-CEH13944YQ, Malonic acid, diethyl-, diethyl ester, CEH13944YQ, NSC 8710, NSC-8710, EINECS 201-016-2, AI3-05640, DTXSID0058807, 2,2-Diethylpropanedioic acid 1,3-diethyl ester, DIETHYL DIETHYLMALONATE [MI], Propanedioic acid, 2,2-diethyl-, 1,3-diethyl ester, DTXCID2047933, Malonic acid, diethyl-, diethyl ester (8CI), 3,3-PENTANEDICARBOXYLIC ACID,DIETHYL ESTER (DIETHYL MALONATE,DIETHYL ESTER), 201-016-2, inchi=1/c11h20o4/c1-5-11(6-2,9(12)14-7-3)10(13)15-8-4/h5-8h2,1-4h, zkbbuzrgpulirn-uhfffaoysa-n, 77-25-8, 1,3-diethyl 2,2-diethylpropanedioate, diethyl 2,2-diethylpropanedioate, MFCD00009132, 2,2-Diethyl-propanedioic Acid 1,3-Diethyl Ester; Diethyl 2,2-Diethylmalonate; Diethyl 3,3-Pentanedicarboxylate; Diethylmalonic Acid Diethyl Ester; NSC 8710, Diathylmalonsaurediathylester, Diethyl diethylmalonate, 98%, Diethyl 2,2-diethylmalonate #, SCHEMBL1244565, NSC8710, diethyl-malonic acid diethyl ester, 2,2-diethyl-malonicaciddiethylester, AC8306, AKOS009157408, 2,2-diethyl-malonic acid diethyl ester, AS-59032, SY033278, 2,2-diethyl-propanedioic acid diethyl ester, DB-056197, CS-0152609, D0867, NS00037899, EN300-85218, Q1223262, 3,3-PENTANEDICARBOXYLIC ACID,DIETHYL ESTER (DIETHYL MALONATE,DIETHYL ESTER)

Diethyl Diethylmalonate is extensively used as a precursor in the synthesis of barbiturates, vitamins, and flavoring agents. It acts as a key intermediate in the Knoevenagel condensation for producing α,β-unsaturated carbonyl compounds. Additionally, its reactivity with Grignard reagents enables the construction of quaternary carbon centers. This compound is also employed in polymer chemistry as a cross-linking agent. Its stability and reactivity make it indispensable in both academic and industrial research.

Safety and Hazards

GHS Hazard Statements

• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (50%)
• Eye Irrit. 2A (50%)
• STOT SE 3 (50%)

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