Description

Diethyl dipropylmalonate (CAS No. 6065-63-0) is a high-purity organic compound with the molecular formula C₁₃H₂₄O₄ and the IUPAC name diethyl 2,2-dipropylpropanedioate. This malonate ester derivative is a versatile building block in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure, featuring two propyl and two ethyl ester groups, makes it an excellent precursor for nucleophilic substitution and condensation reactions. Our product is rigorously tested to ensure ≥98% purity (GC), with low levels of residual solvents and heavy metals, making it ideal for sensitive applications. Supplied in amber glass bottles under inert gas to ensure stability, it is suitable for research, process development, and industrial-scale synthesis.

Properties

• CAS Number: 6065-63-0
• Complexity: 222
• IUPAC Name: diethyl 2,2-dipropylpropanedioate
• InChI: InChI=1S/C13H24O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h5-10H2,1-4H3
• InChI Key: NNDOHYGFLASMFR-UHFFFAOYSA-N
• Exact Mass: 244.16745924
• Molecular Formula: C13H24O4
• Molecular Weight: 244.33
• SMILES: CCCC(CCC)(C(=O)OCC)C(=O)OCC
• Topological: 52.6
• Monoisotopic Mass: 244.16745924
• Synonyms: Diethyl dipropylmalonate, DTXSID7057783, EINECS 227-998-2, DTXCID8031572, EC 227-998-2, NSC 163902, 227-998-2, 6065-63-0, Diethyl 2,2-dipropylmalonate, diethyl 2,2-dipropylpropanedioate, Diethyl di-n-propylmalonate, Dipropyl-malonic acid diethyl ester, Diethyl-dipropylmalonate, DIETHYLDIPROPYL MALONATE, Propanedioic acid, dipropyl-, diethyl ester, Di-n-propylmalonic acid diethyl ester, MFCD00026840, Malonic acid, dipropyl-, diethyl ester, SCHEMBL2353115, CHEMBL3184366, Diethyl 2,2-dipropylmalonate #, SCHEMBL11329351, Dipropylmalonic Acid Diethyl Ester, Tox21_113799, NSC163902, AKOS009159345, CS-W012737, NSC-163902, NCGC00253675-01, LS-14249, CAS-6065-63-0, DB-053683, D2762, NS00008852, H11283, SR-01000944906, SR-01000944906-1

Application

Diethyl dipropylmalonate is widely used as a key intermediate in the synthesis of fine chemicals and active pharmaceutical ingredients (APIs). It serves as a precursor in the production of barbiturates, flavoring agents, and other malonate-derived compounds. Its reactivity in Michael additions and Knoevenagel condensations makes it valuable for constructing complex molecular frameworks. Researchers also employ it in the development of novel materials and catalysts due to its bifunctional ester groups.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.