Acetyl trifluoroacetate

Base Information

• Chemical Name: Acetyl trifluoroacetate
• CAS No.: 96-63-9
• Molecular Formula: C₄H₃F₃O₃
• Molecular Weight: 156.061
• DSSTox Substance ID: DTXSID901342751
• Nikkaji Number: J1.825.938I

Synonyms:Acetyl trifluoroacetate;Trifluoroacetic acetic anhydride;SCHEMBL53;Acetic trifluoroacetic anhydride;VYHOWBVISOWRGB-UHFFFAOYSA-N;DTXSID901342751;96-63-9

Chemical Property of Acetyl trifluoroacetate

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 156.00342844
• Heavy Atom Count: 10
• Complexity: 160

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC(=O)C(F)(F)F

Technology Process of Acetyl trifluoroacetate

There total 1 articles about Acetyl trifluoroacetate 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:

methane (34557-54-5,27936-85-2) + trifluoroacetic anhydride (407-25-0) → methanol (67-56-1) + trifluoroacetic acid-methyl ester (431-47-0) + trifluoroacetic anhydride (96-63-9) + acetic acid (64-19-7,77671-22-8)

Guidance literature:

With ethene; dihydrogen peroxide; palladium(II) trifluoroacetate; In water; at 75 - 80 ℃; for 18h; under 51714.8 Torr;

DOI:10.1021/ja964068j

Reference yield: 82.0%

trifluoroacetic anhydride (96-63-9) + [3-(aminomethyl)phenyl]methanol (34231-22-6) → 2,2,2-trifluoro-N-(3-(hydroxymethyl)benzyl)-acetamide (948903-64-8)

Guidance literature:

With triethylamine; In methanol; at 20 ℃; for 3h;

Reference yield: 75.0%

trifluoroacetic anhydride (96-63-9) + 3-aminobenzenemethanol (1877-77-6) → 2,2,2-trifluoro-N-(3-(hydroxymethyl)phenyl)acetamide

Guidance literature:

With triethylamine; In methanol; at 20 ℃; for 3.5h; Cooling with ice;

upstream raw materials:

methane

trifluoroacetic anhydride

Downstream raw materials:

2-Acetylthiophene

4-nitrobenzyl acetate

hexaacetyl-D-mannitol

2,2,2-trifluoro-N-phenylacetamide

Refernces

Highly efficient proline ester-based nickel catalysts for Michael addition of thiophenols to α,β-enones

10.1002/jccs.201200386

The research focuses on the development of highly efficient nickel catalysts based on proline esters for the thia-Michael addition of thiophenols to α,β-enones. The purpose of this study was to create catalysts that could facilitate this C-S bond forming reaction under mild conditions with high yields, which is significant for the synthesis of pharmaceuticals and natural products. The researchers synthesized two nickel complexes, Ni(BMPP)(CH3CN)2 (1) and Ni(BPPP)(CH3CN)2 (2), using N3O2 pentadentate ligands, BMPP and BPPP. The conclusions drawn from the study were that both complexes 1 and 2 were effective for the thia-Michael addition at ambient temperature, with catalyst 1 being particularly efficient, requiring only 0.5 mol% loading for the reaction. The chemicals used in the process included 4-methoxythiophenol, 2-cyclohexenone, BMPP, BPPP, Ni(CH3CN)62, NaBPh4, and various other reagents and solvents for synthesis and characterization.

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