n-Heptafluorobutyrylimidazole

Base Information

• Chemical Name: n-Heptafluorobutyrylimidazole
• CAS No.: 32477-35-3
• Molecular Formula: C7H3F7N2O
• Molecular Weight: 264.102
• Hs Code.: 29332900
• European Community (EC) Number: 251-063-8
• NSC Number: 151966
• DSSTox Substance ID: DTXSID40186211
• Nikkaji Number: J208.581J
• Wikidata: Q72481273
• Mol file: 32477-35-3.mol

Synonyms:1-(heptafluorobutyryl)imidazole;1-HFBI;2,2,3,3,4,4,4-heptafluoro-1-imidazol-1-ylbutan-1-one;HFBI N-(heptafluorobutyryl)imidazole;N-heptafluorobutyrylimidazole

Chemical Property of n-Heptafluorobutyrylimidazole

Chemical Property:

• Appearance/Colour: clear, colorless liquid
• Vapor Pressure: 0.000762mmHg at 25°C
• Melting Point: 9-13 °C
• Refractive Index: n20/D 1.3865(lit.)
• Boiling Point: 177.185 °C at 760 mmHg
• PKA: 1.37±0.10(Predicted)
• Flash Point: 60.96 °C
• PSA: 34.89000
• Density: 1.59 g/cm³
• LogP: 2.35620
• Storage Temp.: −20°C
• Sensitive.: Hygroscopic
• Solubility.: Miscible with chloroform and methanol.
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 264.01335986
• Heavy Atom Count: 17
• Complexity: 314

Purity/Quality:

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

1-(Heptafluorobutyryl)imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C=N1)C(=O)C(C(C(F)(F)F)(F)F)(F)F
• Uses: 1-(Heptafluorobutyryl)imidazole is used in gas chromatography for the determination of various pharmaceutical compounds like retronecine in biological matrixes. It acts as a reagent for derivatize amine-groups. It plays an essential role to reduce GC column degradation due to its non-acidic property. It is an acylating agent, which converts thermally unstable compounds to its more volatile derivative and then made suitable for GC analysis. N-Heptafluorobutyrylimidazole is a derivatization agent used in gas chromatography for determination of various pharmaceutical compounds such as retronecine in biological matrixes.

Technology Process of n-Heptafluorobutyrylimidazole

There total 3 articles about n-Heptafluorobutyrylimidazole 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:

heptafluorobutyric anhydride (336-59-4) → N-(heptafluorobutyryl)imidazole (32477-35-3)

Guidance literature:

With 1,1'-carbonyldiimidazole; In dichloromethane;

Reference yield:

1H-imidazole (288-32-4) + heptafluorobutyric Acid (375-22-4) → N-(heptafluorobutyryl)imidazole (32477-35-3)

Guidance literature:

In chloroform;

DOI:10.1016/j.jfluchem.2006.08.003

Reference yield:

1H-imidazole (288-32-4) + heptafluorobutyric anhydride (336-59-4) → N-(heptafluorobutyryl)imidazole (32477-35-3)

Guidance literature:

In chloroform;

DOI:10.1016/j.jfluchem.2006.08.003

upstream raw materials:

heptafluorobutyric anhydride

1H-imidazole

heptafluorobutyric Acid

Downstream raw materials:

2-heptafluorobutyrylcyclohexane-1,3-dione

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

1H-imidazole

2,2,3,3,4,4,4-Heptafluoro-butyric acid 2-(2,2,3,3,4,4,4-heptafluoro-butyrylamino)-ethyl ester

Refernces

• 1、 -. "Preparation of N-acylimidazoles". . . Retrieved 2008/06/13.