2,2,2-Trifluoro-N-(2-hydroxyethyl)acetamide

Base Information

• Chemical Name: 2,2,2-Trifluoro-N-(2-hydroxyethyl)acetamide
• CAS No.: 6974-29-4
• Molecular Formula: C4H6F3NO2
• Molecular Weight: 157.092
• Hs Code.: 2924199090
• European Community (EC) Number: 629-184-6
• NSC Number: 23685
• UNII: LEP32VQU4C
• DSSTox Substance ID: DTXSID10220035
• Nikkaji Number: J604.556A
• Wikidata: Q83097098
• Mol file: 6974-29-4.mol

Synonyms:N-trifluoroacetyl-2-aminoethanol;N-trifluoroacetyl-ethanolamine

Chemical Property of 2,2,2-Trifluoro-N-(2-hydroxyethyl)acetamide

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 0.00953mmHg at 25°C
• Melting Point: 32-35 °(lit.)
• Refractive Index: 1.375
• Boiling Point: 234.7 °C at 760 mmHg
• Flash Point: 95.8 °C
• PSA: 49.33000
• Density: 1.373 g/cm³
• LogP: 0.04810
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 157.03506292
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

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

N-(2-Hydroxyethyl)trifluoroacetamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CO)NC(=O)C(F)(F)F
• Uses: Used in the development of a microwave-mediated method for O-allylation of amido alcohols on chromatographic alumina.

Technology Process of 2,2,2-Trifluoro-N-(2-hydroxyethyl)acetamide

There total 12 articles about 2,2,2-Trifluoro-N-(2-hydroxyethyl)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:

C15H16F6N2O4 → N-(2-hydroxyethyl)-2,2,2-trifluoroacetamide (6974-29-4) + benzaldehyde (100-52-7)

Guidance literature:

With trifluoroacetic acid; In [D₃]acetonitrile; water-d2; at 20 ℃; Solvent; Kinetics;

DOI:10.1021/jacs.6b11181

Reference yield:

C17H20F6N2O6 → N-(2-hydroxyethyl)-2,2,2-trifluoroacetamide (6974-29-4) + 2,4-Dimethoxybenzaldehyde (613-45-6)

Guidance literature:

In aq. phosphate buffer; [D₃]acetonitrile; water-d2; at 20 ℃; pH=5; Kinetics;

DOI:10.1021/jacs.6b11181

Reference yield:

C15H15F6N3O6 → N-(2-hydroxyethyl)-2,2,2-trifluoroacetamide (6974-29-4) + 4-nitrobenzaldehdye (555-16-8)

Guidance literature:

With trifluoroacetic acid; In [D₃]acetonitrile; water-d2; at 20 ℃; Kinetics;

DOI:10.1021/jacs.6b11181

upstream raw materials:

N,N'-[cyclohexane-1,1-diylbis(oxyethane-2,1-diyl)]bis(2,2,2-trifluoroacetamide)

2,2,2-trifluoro-N-(2-{(4-methoxy-phenyl)-[2-(2,2,2-trifluoro-acetylamino)-ethoxy]-methoxy}-ethyl)-acetamide

Downstream raw materials:

N-{2-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-ethyl}-2,2,2-trifluoro-acetamide

2,2,2-trifluoro-N-(2-{(4-methoxy-phenyl)-[2-(2,2,2-trifluoro-acetylamino)-ethoxy]-methoxy}-ethyl)-acetamide

N,N'-[cyclohexane-1,1-diylbis(oxyethane-2,1-diyl)]bis(2,2,2-trifluoroacetamide)

1,1-diethoxycyclohexane

Refernces