Diethyl acetone-1,3-dicarboxylate, 96%

Código de producto. 11404343

Marca: Thermo Scientific Alfa Aesar A10933.18

Descripción

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.

Especificaciones

Identificadores de productos químicos

• 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

• 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

Seguridad y manipulación

SDS

RUO – Research Use Only