3-Methyl-1,4-dioxane-2,5-dione

Base Information

• Chemical Name: 3-Methyl-1,4-dioxane-2,5-dione
• CAS No.: 57321-93-4
• Molecular Formula: C5H6O4
• Molecular Weight: 130.1
• DSSTox Substance ID: DTXSID80437810
• Nikkaji Number: J1.941.597J
• Mol file: 57321-93-4.mol

Synonyms:3-methyl-1,4-dioxane-2,5-dione;57321-93-4;1,4-Dioxane-2,5-dione, 3-methyl-;SCHEMBL34143;DTXSID80437810;MVXNGTMKSZHHCO-UHFFFAOYSA-N;3-methyl-l,4-dioxane-2,5-dione;AS-60085;CS-0094968;D75679

Chemical Property of 3-Methyl-1,4-dioxane-2,5-dione

Chemical Property:

• PSA: 52.60000
• LogP: -0.52510
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 130.02660867
• Heavy Atom Count: 9
• Complexity: 151

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)OCC(=O)O1
• Use Description: 1,4-Dioxane-2,5-dione, 3-methyl-, also known as 3-methylglyoxal, has several important applications across different fields. In the field of chemistry and organic synthesis, it serves as a versatile building block for the production of various organic compounds, including pharmaceuticals, agrochemicals, and specialty chemicals. Its functional groups and reactivity make it a valuable starting material for creating complex molecules. Additionally, in the food and beverage industry, it can be employed as a flavoring agent and food additive to enhance the taste of certain products. Furthermore, in medical and biochemical research, 3-methylglyoxal is of interest due to its role in cellular metabolism and its potential implications in health and disease. Its adaptability as a chemical building block, flavor enhancer, and research tool underscores its significance in advancing chemistry, food science, and scientific investigations in different fields.

Technology Process of 3-Methyl-1,4-dioxane-2,5-dione

There total 7 articles about 3-Methyl-1,4-dioxane-2,5-dione 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: 81.0%

2-((2-bromopropanoyl)oxy)acetic acid → 6-methyl-1,4-dioxane-2,5-dione (57321-93-4)

Guidance literature:

With sodium hydrogencarbonate; N,N-dimethyl-formamide; at 80 ℃; for 4h; Inert atmosphere;

DOI:10.1021/acs.biomac.1c00269

Reference yield: 72.0%

2-(2-hydroxyacetoxy)propionic acid (136532-17-7) → 6-methyl-1,4-dioxane-2,5-dione (57321-93-4)

Guidance literature:

2-(2-hydroxyacetoxy)propionic acid; With 1,3,5-trichloro-2,4,6-triazine; In acetone; at 20 ℃;

With triethylamine; In acetone; Further stages.;

DOI:10.1002/ejoc.200300181

Reference yield:

glycolic Acid (79-14-1) → glycolide (502-97-6) + acetoxyacetic acid (13831-30-6) + 6-methyl-1,4-dioxane-2,5-dione (57321-93-4)

Guidance literature:

glycolic Acid; With iron; In water; at 210 ℃; for 7h; under 22.5023 Torr; Autoclave;

With tetraethylene glycol dibutyl ether; In water; at 235 ℃; for 12h; under 22.5023 Torr;

upstream raw materials:

2-(2-hydroxyacetoxy)propionic acid

benzyl 2-(2-hydroxyacetoxy)propionate

glycolic Acid

Refernces

• 1、 -. "METHOD FOR PRODUCING CYCLIC ESTER". Paragraph 0113-0115; 0120. . Retrieved 2020/12/25.
• 2、 Akopyan,Khachatryan. "Synthesis of New Substituted 2,3-Dihydro-1,4-dioxin-2-ones and 1,4-Dioxan-2-ones". . p. 707 - 709. Retrieved 2007/10/03.