Methyl-D3 3-Oxobutanoate

Base Information

• Chemical Name: Methyl-D3 3-Oxobutanoate
• CAS No.: 107694-22-4
• Molecular Formula: C₅H₈O₃
• Molecular Weight: 119.093
• Mol file: 107694-22-4.mol

Synonyms:Methyl-D3 3-Oxobutanoate;3-Oxobutanoic Acid Methyl-d3 Ester;3-Oxobutyric Acid Methyl-d3 Ester;Acetoacetate methyl-d3 Ester;Methyl-d3 3-Oxobutyrate

Chemical Property of Methyl-D3 3-Oxobutanoate

Chemical Property:

• PSA: 43.37000
• LogP: 0.13850
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Dichloromethane, Tetrahydrofurane

Purity/Quality:

97% ^*data from raw suppliers

Methyl-d3 3-Oxobutanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 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.

Technology Process of Methyl-D3 3-Oxobutanoate

There total 1 articles about Methyl-D3 3-Oxobutanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 38.0%

d(4)-methanol (811-98-3) + 5-acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione (72324-39-1) → methyl-d-3 acetoacetate (107694-22-4)

Guidance literature:

In benzene; Reflux;

DOI:10.1016/j.bmcl.2010.04.096

Reference yield:

methyl-d-3 acetoacetate (107694-22-4) + methyl 2-(2'-nitrobenzylidene)acetoacetate (39562-27-1) → nifedipine-d3 (1238362-15-6)

Guidance literature:

With ammonia; In methanol; for 48h; Reflux;

DOI:10.1016/j.bmcl.2010.04.096

upstream raw materials:

d⁽⁴⁾-methanol

5-acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione

Downstream raw materials:

nifedipine-d₃

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