Diethyl acetone-1,3-dicarboxylate, 96%

Catalog No.	Quantity
AAA1093318	50 g
AAA1093330	250 g

Catalog No. AAA1093318 Supplier Thermo Scientific Chemicals Supplier No. A1093318

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.

Specifications

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

• 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

Safety and Handling

Hazard Category	H227-H315-H319
Hazard Statement	GHS H Statement H227 Combustible liquid.
Precautionary Statement	P210-P235-P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P370+P378q-P501c
EINECSNumber	203-302-2
TSCA	Yes
Recommended Storage	Keep cold

SDS

RUO – Research Use Only