Cas no 133318-40-8 (Diethyl 2-oxomalonate hydrate)

Diethyl 2-oxomalonate hydrate (CAS 18480-07-4) is a versatile organic compound widely used as a key intermediate in synthetic chemistry. Its structure features a reactive oxo group adjacent to two ester functionalities, making it valuable for condensation reactions, heterocyclic synthesis, and the preparation of fine chemicals. The hydrate form enhances stability and handling compared to anhydrous variants. This compound is particularly useful in pharmaceutical and agrochemical research for constructing complex molecular frameworks. Its high purity and consistent reactivity ensure reliable performance in nucleophilic additions, Michael reactions, and other transformations. Suitable for laboratory-scale applications, it is typically supplied as a crystalline solid with standardized specifications.
Diethyl 2-oxomalonate hydrate structure
Diethyl 2-oxomalonate hydrate structure
Product Name:Diethyl 2-oxomalonate hydrate
CAS No:133318-40-8
MF:C7H12O6
MW:192.166583061218
MDL:MFCD28101749
CID:1232864
Update Time:2025-05-27

Diethyl 2-oxomalonate hydrate Chemical and Physical Properties

Names and Identifiers

    • Diethyl 2-oxomalonate hydrate
    • Diethyl ketomalonate hydrate
    • : Diethyl KetoMalonate Monohydrate
    • Diethyl KetoMalonate Monohydrate
    • Oxopropanedioic acid diethyl ester monohydrate
    • AK158802
    • diethylmesoxalate hydrate
    • C7H10O5.H2O
    • OEWWEABZDCFLPH-UHFFFAOYSA-N
    • 7759AF
    • ST24046545
    • MDL： MFCD28101749
    • Inchi： 1S/C7H10O5.H2O/c1-3-11-6(9)5(8)7(10)12-4-2;/h3-4H2,1-2H3;1H2
    • InChI Key： OEWWEABZDCFLPH-UHFFFAOYSA-N
    • SMILES： O(C(C(C(=O)OCC)=O)=O)CC.O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 6
  • Complexity: 176
  • Topological Polar Surface Area: 70.7

Experimental Properties

  • Melting Point: 57 oC

Diethyl 2-oxomalonate hydrate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
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Diethyl Ketomalonate Monohydrate
 133318-40-8 97%
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 328.00 2021-05-17
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SHANG HAI XIAN DING Biotechnology Co., Ltd.
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SHANG HAI XIAN DING Biotechnology Co., Ltd.
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abcr
AB440751-
Diethyl 2-oxomalonate hydrate; .
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€207.20 2022-06-10
abcr
AB440751-25 g
Diethyl 2-oxomalonate hydrate; .
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 €431.40 2022-06-10
eNovation Chemicals LLC
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Propanedioic acid, 2-oxo-, 1,3-diethyl ester, hydrate (1:1)
 133318-40-8 97%
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SHANG HAI XIAN DING Biotechnology Co., Ltd.
125537-100g
Diethyl ketomalonate hydrate
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