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Diethyl acetone-1,3-dicarboxylate, 96%

Codice prodotto. 11414343
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Codice prodotto. 11414343 Fornitore Thermo Scientific Alfa Aesar N. del fornitore A10933.30
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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

Identificatori chimici

CAS 105-50-0
Formula molecolare C9H14O5
Molecular Weight (g/mol) 202.21
Numero MDL MFCD00009200
InChI Key ZSANYRMTSBBUCA-UHFFFAOYSA-N
Sinonimo 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

Specifica

Materiale o nome chimico Diethyl acetone-1,3-dicarboxylate
Densità 1.113
Punti di ebollizione 134°C to 135°C (10 mmHg)
Punto d'infiammabilità 86°C (186°F)
Indice di rifrazione 1.44
Quantità 250 g
Beilstein 640146
Informazioni di solubilità Insoluble in water and soluble in alcohol,ester,benzene.
Peso formulazione 202.21
Percent Purity 96%

RUO – Research Use Only

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