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  8. Diethyl acetone-1,3-dicarboxylate, 96%

Diethyl acetone-1,3-dicarboxylate, 96%

Product Code. 11404343
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Product Code. 11404343 Supplier Thermo Scientific Alfa Aesar Supplier No. A10933.18
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Description

CAS: 105-50-0 | C9H14O5 | 202.21 g/mol

Synthesis of 1-substituted 4-ethoxycarbonyl-5- (ethoxycarbonylmethyl) pyrazoles Diethyl acetone-1, 3-dicarboxylate reacts with N, N-dimethylforma- mide dimethyl acetal (DMFDMA) in ethanol at room temperature. Unexpected product dichotomy is produced in the Biginelli-like condensation of 2-hydroxybenzaldehyde with urea or thiourea and dimethyl or diethyl acetone-1,3-dicarboxylate, respectively, as active methylene components. Ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)thiazole-5-carboxylate (2a), prepared from diethylacetone-1,3-dicarboxylate, sulfuryl chloride and thiourea. Synthesis of diethyl 2,2-diethyl-3,5-dioxopimelate by the reaction of ethyl 3-chloro-3-oxo-2,2-dimethylpropionate with diethyl acetone-1,3-dicarboxylate.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Synthesis of 1-substituted 4-ethoxycarbonyl-5- (ethoxycarbonylmethyl) pyrazoles Diethyl acetone-1, 3-dicarboxylate reacts with N, N-dimethylforma- mide dimethyl acetal (DMFDMA) in ethanol at room temperature. Unexpected product dichotomy is produced in the Biginelli-like condensation of 2-hydroxybenzaldehyde with urea or thiourea and dimethyl or diethyl acetone-1,3-dicarboxylate, respectively, as active methylene components. Ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)thiazole-5-carboxylate (2a), prepared from diethylacetone-1,3-dicarboxylate, sulfuryl chloride and thiourea. Synthesis of diethyl 2,2-diethyl-3,5-dioxopimelate by the reaction of ethyl 3-chloro-3-oxo-2,2-dimethylpropionate with diethyl acetone-1,3-dicarboxylate.

Solubility
Insoluble in water and soluble in alcohol, ester, benzene.

Notes
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from strong oxidizing agents.
TRUSTED_SUSTAINABILITY

Chemical Identifiers

CAS 105-50-0
Molecular Formula C9H14O5
Molecular Weight (g/mol) 202.21
MDL Number MFCD00009200
InChI Key ZSANYRMTSBBUCA-UHFFFAOYSA-N
Synonym diethyl 1,3-acetonedicarboxylate, diethyl 3-oxoglutarate, 1,5-diethyl 3-oxopentanedioate, pentanedioic acid, 3-oxo-, diethyl ester, ethyl acetonedicarboxylate, ethyl 3-oxoglutarate, diethyl acetone-1,3-dicarboxylate, diethyl acetone dicarboxylate, 3-oxopentanedioic acid diethyl ester, acetonedicarboxylic acid diethyl ester
PubChem CID 66045
IUPAC Name diethyl 3-oxopentanedioate
SMILES CCOC(=O)CC(=O)CC(=O)OCC

Specifications

Density 1.113
Boiling Point 134°C to 135°C (10 mmHg)
Flash Point 86°C (186°F)
Refractive Index 1.44
Quantity 50 g
Beilstein 640146
Solubility Information Insoluble in water and soluble in alcohol,ester,benzene.
Formula Weight 202.21
Percent Purity 96%
Chemical Name or Material Diethyl acetone-1,3-dicarboxylate

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