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Diethyl acetone-1,3-dicarboxylate, 96%, Thermo Scientific Chemicals
$92.23 - $323.55
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 |
| Catalog Number | Mfr. No. | Quantity | Price | Quantity | |||||
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| Catalog Number | Mfr. No. | Quantity | Price | Quantity | |||||
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AAA1093318
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Thermo Scientific Chemicals
A1093318 |
50 g |
Each for $92.23
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AAA1093330
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Thermo Scientific Chemicals
A1093330 |
250 g |
Each for $323.55
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Description
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.
ApplicationsSynthesis 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.
Chemical Identifiers
| 105-50-0 | |
| 202.21 | |
| ZSANYRMTSBBUCA-UHFFFAOYSA-N | |
| 66045 | |
| CCOC(=O)CC(=O)CC(=O)OCC |
| C9H14O5 | |
| MFCD00009200 | |
| 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 | |
| diethyl 3-oxopentanedioate |
Specifications
| 105-50-0 | |
| 134°C to 135°C (10 mmHg) | |
| C9H14O5 | |
| MFCD00009200 | |
| 640146 | |
| Insoluble in water and soluble in alcohol,ester,benzene. | |
| CCOC(=O)CC(=O)CC(=O)OCC | |
| 202.21 | |
| 202.21 | |
| Diethyl acetone-1,3-dicarboxylate |
| 1.113 | |
| 86°C (186°F) | |
| 1.44 | |
| 50 g | |
| 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 | |
| ZSANYRMTSBBUCA-UHFFFAOYSA-N | |
| diethyl 3-oxopentanedioate | |
| 66045 | |
| 96% |
Safety and Handling
GHS H Statement
H227
Combustible liquid.
P210-P235-P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P370+P378q-P501c
H227-H315-H319
EINECSNumber : 203-302-2
TSCA : Yes
Recommended Storage : Keep cold
RUO – Research Use Only