(1E)-2,2,2-Trifluoro-1-(2-oxo[1,3]oxazolo[3,2-a]pyridin-4-ium-3(2H)-ylidene)ethan-1-olate

Base Information

• Chemical Name: (1E)-2,2,2-Trifluoro-1-(2-oxo[1,3]oxazolo[3,2-a]pyridin-4-ium-3(2H)-ylidene)ethan-1-olate
• CAS No.: 22280-38-2
• Molecular Formula: C₉H₄F₃NO₃
• Molecular Weight: 231.131
• DSSTox Substance ID: DTXSID60716175
• NSC Number: 68227
• Mol file: 22280-38-2.mol

Synonyms:22280-38-2;DTXSID60716175;NSC68227;NSC-68227;(1E)-2,2,2-Trifluoro-1-(2-oxo[1,3]oxazolo[3,2-a]pyridin-4-ium-3(2H)-ylidene)ethan-1-olate

Chemical Property of (1E)-2,2,2-Trifluoro-1-(2-oxo[1,3]oxazolo[3,2-a]pyridin-4-ium-3(2H)-ylidene)ethan-1-olate

Chemical Property:

• Vapor Pressure: 0.00126mmHg at 25°C
• Boiling Point: 265.5°C at 760 mmHg
• Flash Point: 114.4°C
• Density: 1.62g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 231.01432748
• Heavy Atom Count: 16
• Complexity: 294

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=[N+]2C(=C1)OC(=C2C(=O)C(F)(F)F)[O-]

Technology Process of (1E)-2,2,2-Trifluoro-1-(2-oxo[1,3]oxazolo[3,2-a]pyridin-4-ium-3(2H)-ylidene)ethan-1-olate

There total 3 articles about (1E)-2,2,2-Trifluoro-1-(2-oxo[1,3]oxazolo[3,2-a]pyridin-4-ium-3(2H)-ylidene)ethan-1-olate 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:

(2-oxo-2H-pyridin-1-yl)-acetic acid (56546-36-2) + trifluoroacetic anhydride (407-25-0) → 2-oxo-3-trifluoroacetyl-2,3-dihydro-oxazolo[3,2-a]pyridinylium betaine (22280-38-2)

Guidance literature:

In 1,4-dioxane;

DOI:10.1039/j39700001485

Reference yield:

2-oxo-2,3-dihydro-oxazolo[3,2-a]pyridinylium betaine (27328-88-7) + trifluoroacetic anhydride (407-25-0) → 2-oxo-3-trifluoroacetyl-2,3-dihydro-oxazolo[3,2-a]pyridinylium betaine (22280-38-2)

Guidance literature:

DOI:10.1039/c29690000182

Reference yield:

2,3-dihydro-2-oxooxazolo[3,2-a]pyridinium perchlorate + trifluoroacetic anhydride (407-25-0) → 2-oxo-3-trifluoroacetyl-2,3-dihydro-oxazolo[3,2-a]pyridinylium betaine (22280-38-2)

Guidance literature:

Multistep reaction; (i) Et₃N, CH₂Cl₂, (ii) /BRN= 746197/;

DOI:10.1039/j39700001485

upstream raw materials:

(2-oxo-2H-pyridin-1-yl)-acetic acid

trifluoroacetic anhydride

2-oxo-2,3-dihydro-oxazolo[3,2-a]pyridinylium betaine