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Product Overview

Product Code

TRC-O848427

CAS Number

107694-22-4

Product Format

Neat

Molecular Formula

C5 2H3 H5 O3

Molecular Weight

119.13

Product Categories

Drugs, Stable isotopes, TRC

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

105-45-3

Documentation

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Product Information

Chemical Data

Analyte Name

3-Oxobutyric Acid Methyl-d3 Ester

CAS Number

107694-22-4

Molecular Formula

C5 2H3 H5 O3

Molecular Weight

119.13

Accurate Mass

119.0662

SMILES

[2H]C([2H])([2H])OC(=O)CC(=O)C

InChI

InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3/i2D3

IUPAC

trideuteriomethyl 3-oxobutanoate

Unlabelled CAS Number

105-45-3

SIL Type

Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Blue Ice

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

Product Description

Isotope labelled 3-Oxobutanoic Acid Methyl Ester is a chemical reagent used in the synthesis of pharmaceuticals. It participates in the Biginelli reaction, forming molecules including dihydropyrimidinones.

References: Ranu, B. et al.: J. Org. Chem. 65, 6270 (2000); Lu, J. et al.: Tetrahedron Lett., 41, 9075 (2000); Lu, J. et al.: Synlett., 1, 63 (2000);

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