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137766 Sigma-Aldrich

Diethyl oxalpropionate

≥95%

Synonym: Diethyl 2-methyl-3-oxosuccinate, Methyloxo-butanedioic acid diethyl ester, NSC 33946

  • CAS Number 759-65-9

  • Linear Formula C2H5OCOCH(CH3)COCOOC2H5

  • Molecular Weight 202.20

  •  Beilstein/REAXYS Number 1783697

  •  EC Number 212-071-7

  •  MDL number MFCD00009163

  •  PubChem Substance ID 24848348

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters,
Quality Level   100
assay   ≥95%
refractive index   n20/D 1.432 (lit.)
bp   138 °C/23 mmHg (lit.)
density   1.073 g/mL at 25 °C (lit.)
SMILES string   CCOC(=O)C(C)C(=O)C(=O)OCC
InChI   1S/C9H14O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6H,4-5H2,1-3H3
InChI key   OQOCQBJWOCRPQY-UHFFFAOYSA-N

Description

Application

Diethyl oxalpropionate was used in the synthesis of 2-hydroxy-3-methylsuccinic acid. It was used as starting reagent in the synthesis of racemic 4-alkyloxycarbonyl-3,3-dimethyl-2-oxetanones and 4-quinolinone 2-carboxylic acid.

Reactant involved in:
• Synthesis of anticancer and antiviral agents
• Oxidation by organohypervalent iodine reagent
• Synthesis of monomers for preparation of functional polyesters
• Synthesis of calpain inhibitors
• Preparation of human A2A receptor antagonists
• Structural studies of dihydropteroate synthase inhibitors

Packaging

25, 100 g in glass bottle

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3

Meet Synthia - Retrosynthesis Sofware
Protocols & Articles

Articles

MSMLS Online Plate Map

Metabolite descriptors included with the software download upon purchase of the product include: Name, Parent CID, molecular formula, molecular weight, CAS, ChEBI, HMDB ID, PubChem Compound and Subst...
Keywords: Mass spectrometry, Metabolites

Peer-Reviewed Papers
15

References

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