1-(Pentafluoropropionyl)imidazole

Base Information

• Chemical Name: 1-(Pentafluoropropionyl)imidazole
• CAS No.: 71735-32-5
• Molecular Formula: C6H3F5N2O
• Molecular Weight: 214.095
• Hs Code.: 2933290090
• European Community (EC) Number: 275-944-1
• NSC Number: 377653
• UNII: MM2C96C9CY
• DSSTox Substance ID: DTXSID40221959
• Nikkaji Number: J236.009H
• Wikidata: Q83100026
• Mol file: 71735-32-5.mol

Synonyms:71735-32-5;1-(Pentafluoropropionyl)imidazole;N-(pentafluoropropionyl)imidazole;2,2,3,3,3-pentafluoro-1-(1H-imidazol-1-yl)propan-1-one;N-pentafluoropropionylimidazole;2,2,3,3,3-pentafluoro-1-imidazol-1-ylpropan-1-one;1-(2,2,3,3,3-Pentafluoro-1-oxopropyl)-1H-imidazole;EINECS 275-944-1;MFCD00014502;NSC-377653;1H-Imidazole, 1-(2,2,3,3,3-pentafluoro-1-oxopropyl)-;C6H3F5N2O;NSC377653;MM2C96C9CY;SCHEMBL3027719;1-(pentafluoropropanyl)imidazole;ANTINEOPLASTIC-377653;DTXSID40221959;C6-H3-F5-N2-O;1-(Pentafluoropropionyl)-1H-imidazole;AKOS015852839;NSC 377653;PS-6735;FT-0641362;A837308;1-Propanone, 2,2,3,3,3-pentafluoro-1-(1H-imidazol-1-yl)-;2,2,3,3,3-Pentafluoro-1-(1H-imidazol-1-yl)-1-propanone;1-(Pentafluoropropionyl)imidazole, for GC derivatization, >=98.5%

Chemical Property of 1-(Pentafluoropropionyl)imidazole

Chemical Property:

• Vapor Pressure: 0.0408mmHg at 25°C
• Refractive Index: n20/D 1.399
• Boiling Point: 167.6 °C at 760 mmHg
• PKA: 1.81±0.10(Predicted)
• Flash Point: 55.2 °C
• PSA: 34.89000
• Density: 1.54 g/cm³
• LogP: 1.72090
• Storage Temp.: −20°C
• Sensitive.: Hygroscopic
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 214.01655353
• Heavy Atom Count: 14
• Complexity: 239

Purity/Quality:

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

N-(Pentafluoropropionyl)imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C=N1)C(=O)C(C(F)(F)F)(F)F
• Uses: PFPI may be used to incubate the lyophilized samples, for derivatization during GC/MS analysis to measure total d-chiro-Inositol content absorbed by rodents.

Technology Process of 1-(Pentafluoropropionyl)imidazole

There total 2 articles about 1-(Pentafluoropropionyl)imidazole 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:

1H-imidazole (288-32-4) + 2,2,3,3,3-pentafluoropropanoic anhydride (356-42-3) → pentafluoropropionyl-imidazole (71735-32-5)

Guidance literature:

In chloroform;

DOI:10.1016/j.jfluchem.2006.08.003

Reference yield:

pentafluoropropionic acid (422-64-0) + 1,1'-carbonyldiimidazole (530-62-1) → pentafluoropropionyl-imidazole (71735-32-5)

Guidance literature:

In chloroform;

DOI:10.1016/j.jfluchem.2006.08.003

Reference yield: 97.0%

1,3-cylohexanedione (504-02-9) + pentafluoropropionyl-imidazole (71735-32-5) → 2-pentafluoropropionylcyclohexane-1,3-dione (950908-45-9)

Guidance literature:

With 1H-imidazole; In chloroform; at 20 ℃; for 0.75h;

DOI:10.1016/j.jfluchem.2006.08.003

upstream raw materials:

1H-imidazole

2,2,3,3,3-pentafluoropropanoic anhydride

pentafluoropropionic acid

1,1'-carbonyldiimidazole

Downstream raw materials:

2-pentafluoropropionylcyclohexane-1,3-dione

2-pentafluoropropionyl-5,5-dimethylcyclohexane-1,3-dione

Refernces