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Merck
CN

75680

Diethyl oxalpropionate

purum, ≥95.0% (GC)

Synonym(s):

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

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About This Item

Linear Formula:
C2H5OCOCH(CH3)COCOOC2H5
CAS Number:
Molecular Weight:
202.20
UNSPSC Code:
12352100
PubChem Substance ID:
EC Number:
212-071-7
Beilstein/REAXYS Number:
1783697
MDL number:
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grade

purum

assay

≥95.0% (GC)

refractive index

n20/D 1.432 (lit.), n20/D 1.433

bp

138 °C/23 mmHg (lit.)

density

1.073 g/mL at 25 °C (lit.)

SMILES string

[H][C@@]12[C@]3(NC(N2)=[NH2+])N(CCC3(O)O)C(N(O)[C@H]1COC(NS(=O)([O-])=O)=O)=N, 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

Application

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

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

206.6 °F - closed cup

flash_point_c

97 °C - closed cup

ppe

Eyeshields, Gloves

Regulatory Information

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Global Trade Item Number

SKUGTIN
565850-10MG04055977191943

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