2,4-Oxazolidinedione

Base Information

• Chemical Name: 2,4-Oxazolidinedione
• CAS No.: 2346-26-1
• Molecular Formula: C3H3NO3
• Molecular Weight: 101.062
• Hs Code.: 2934999090
• European Community (EC) Number: 874-748-9
• NSC Number: 120350
• UNII: R22D15229R
• DSSTox Substance ID: DTXSID60894083
• Nikkaji Number: J1.024.458G
• Wikipedia: Oxazolidinedione
• Wikidata: Q5194235
• Mol file: 2346-26-1.mol

Synonyms:2,4-oxazolidenedione

Chemical Property of 2,4-Oxazolidinedione

Chemical Property:

• Melting Point: 89-90 °C
• Refractive Index: 1.465
• Boiling Point: 173 °C(Press: 11 Torr)
• PKA: 6.00±0.50(Predicted)
• PSA: 55.40000
• Density: 1.469 g/cm³
• LogP: -0.41840
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 101.011292958
• Heavy Atom Count: 7
• Complexity: 119

Purity/Quality:

98%,99%, ^*data from raw suppliers

Oxazolidine-2,4-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)NC(=O)O1

Technology Process of 2,4-Oxazolidinedione

There total 17 articles about 2,4-Oxazolidinedione 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: 55.0%

glycolamide (598-42-5) + Diethyl carbonate (105-58-8,76619-83-5) → 2,4-oxazolidinedione (2346-26-1)

Guidance literature:

With potassium tert-butylate; In methanol; at 75 ℃; for 18h; Inert atmosphere;

Reference yield: 30.0%

dimethylenecyclourethane (497-25-6) → 2,4-oxazolidinedione (2346-26-1)

Guidance literature:

With benzophenone; oxygen; In tert-butyl alcohol; for 69h; Irradiation;

Reference yield: 29.0%

tetraethylammonium bicarbonate (17351-61-0) + Chloroacetamide (79-07-2) → 2,4-oxazolidinedione (2346-26-1)

Guidance literature:

In acetonitrile; at 20 ℃; for 2h;

DOI:10.1016/S0040-4020(98)01025-4

upstream raw materials:

ethanol

ethyl 2-hydroxyacetate

sodium ethanolate

urea

Downstream raw materials:

3-methyl-2,4-oxazolidinedione

3-(2-pyridin-2-yl-ethyl)-oxazolidine-2,4-dione

1-Hydroxyacetylsemicarbazid

4-Hydroxyacetylsemicarbazid

Refernces

• 1、 -. "MODIFIED COMPOUND OF ANDROGRAPHOLIDE". Paragraph 0557-0559. . Retrieved 2019/01/04.
• 2、 -. "OXAZOLO[5,4-C]QUINOLIN-2-ONE COMPOUNDS AS BROMODOMAIN INHIBITORS". Paragraph 00227. . Retrieved 2014/10/04.