2,2,2-Trifluoro-N-methyl-N-(trifluoroacetyl)acetamide

Base Information

• Chemical Name: 2,2,2-Trifluoro-N-methyl-N-(trifluoroacetyl)acetamide
• CAS No.: 685-27-8
• Molecular Formula: C5H3 F6 N O2
• Molecular Weight: 223.075
• Hs Code.: 29241990
• European Community (EC) Number: 211-680-5
• DSSTox Substance ID: DTXSID00218623
• Nikkaji Number: J149.964E
• Wikidata: Q72488301
• Mol file: 685-27-8.mol

Synonyms:N-methyl-bis(trifluoroacetamide)

Chemical Property of 2,2,2-Trifluoro-N-methyl-N-(trifluoroacetyl)acetamide

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 14.9mmHg at 25°C
• Refractive Index: n20/D 1.346(lit.)
• Boiling Point: 120-122 ºC
• PKA: -3.38±0.70(Predicted)
• Flash Point: 42 ºC
• Density: 1.547
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 223.00679731
• Heavy Atom Count: 14
• Complexity: 228

Purity/Quality:

99% ^*data from raw suppliers

N-Methyl-bis(trifluoroacetamide) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 10-34-44
• Safety Statements: 26-36/37/39-45-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Nitrogen Compounds
• Canonical SMILES: CN(C(=O)C(F)(F)F)C(=O)C(F)(F)F
• Uses: Reagent for introducing trifluoroacetyl group.

Technology Process of 2,2,2-Trifluoro-N-methyl-N-(trifluoroacetyl)acetamide

There total 2 articles about 2,2,2-Trifluoro-N-methyl-N-(trifluoroacetyl)acetamide 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:

trifluoracetyl chloride (354-32-5) + N-methyl-2,2,2-trifluoroacetamide (815-06-5) → 2,2,2-trifluoro-N-methyl-N-(2,2,2-trifluoroacetyl)acetamide (685-27-8)

Guidance literature:

In tetrahydrofuran;

DOI:10.1021/ja00870a021

Reference yield:

→ 2,2,2-trifluoro-N-methyl-N-(2,2,2-trifluoroacetyl)acetamide (685-27-8)

Guidance literature:

DOI:10.1016/S0021-9673(73)30078-4

Reference yield: 85.0%

2,2,2-trifluoro-N-methyl-N-(2,2,2-trifluoroacetyl)acetamide (685-27-8) + 2,3-dihydro-1H-inden-2-amine (2975-41-9) → N-(2,3-dihydro-1H-inden-2-yl)-2,2,2-trifluoroacetamide (193756-44-4)

Guidance literature:

In ethyl acetate; Ambient temperature;

DOI:10.1021/jo970378o

upstream raw materials:

trifluoracetyl chloride

N-methyl-2,2,2-trifluoroacetamide

Downstream raw materials:

O-trifluoroacetyl-2,5-dimethylphenol

Trifluoro-acetic acid (2S,3S,4R,5S)-2-[(R)-1,2-bis-(2,2,2-trifluoro-acetoxy)-ethyl]-4,5-bis-(2,2,2-trifluoro-acetoxy)-tetrahydro-furan-3-yl ester

Trifluoro-acetic acid (2S,3S,4R,5R)-2-[(R)-1,2-bis-(2,2,2-trifluoro-acetoxy)-ethyl]-4,5-bis-(2,2,2-trifluoro-acetoxy)-tetrahydro-furan-3-yl ester

Trifluoro-acetic acid (2S,3R,4S,5S,6R)-2,3,5-tris-(2,2,2-trifluoro-acetoxy)-6-(2,2,2-trifluoro-acetoxymethyl)-tetrahydro-pyran-4-yl ester

Refernces