N1-(2-hydroxypropyl)-N2-(3-(trifluoromethyl)phenyl)oxalamide

Base Information

• Chemical Name: N1-(2-hydroxypropyl)-N2-(3-(trifluoromethyl)phenyl)oxalamide
• CAS No.: 433241-66-8
• Molecular Formula: C12H13F3N2O3
• Molecular Weight: 290.242
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID70387810
• Mol file: 433241-66-8.mol

Synonyms:433241-66-8;N1-(2-hydroxypropyl)-N2-(3-(trifluoromethyl)phenyl)oxalamide;N-(2-hydroxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide;N-(2-hydroxypropyl)-N'-[3-(trifluoromethyl)phenyl]ethanediamide;N-(2-hydroxypropyl)-N'-[3-(trifluoromethyl)-phenyl]ethanediamide;SCHEMBL597244;DTXSID70387810;STK168999;AKOS000342884;AKOS022078348;A6987;CS-0368063;FT-0659341;AB00122440-01;SR-01000245409;SR-01000245409-1;N-(2-hydroxypropyl)-N\'-[3-(trifluoromethyl)phenyl]oxamide;N1-(2-Hydroxypropyl)-N2-[3-(trifluoromethyl)phenyl]ethanediamide

Chemical Property of N1-(2-hydroxypropyl)-N2-(3-(trifluoromethyl)phenyl)oxalamide

Chemical Property:

• PSA: 78.43000
• Density: 1.386
• LogP: 1.60480
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 290.08782677
• Heavy Atom Count: 20
• Complexity: 360

Purity/Quality:

97% ^*data from raw suppliers

N1-(2-Hydroxypropyl)-N2-(3-(trifluoromethyl)phenyl)oxalamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CNC(=O)C(=O)NC1=CC=CC(=C1)C(F)(F)F)O

Technology Process of N1-(2-hydroxypropyl)-N2-(3-(trifluoromethyl)phenyl)oxalamide

There total 2 articles about N1-(2-hydroxypropyl)-N2-(3-(trifluoromethyl)phenyl)oxalamide 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: 99.0%

ethyl 2-oxo-2-((3-(trifluoromethyl)phenyl)amino)acetate (17738-86-2) + 3-amino-2-propanol (78-96-6,1674-56-2) → N-(2-hydroxypropyl)-N'-[3-(trifluoromethyl)-phenyl]ethanediamide (433241-66-8)

Guidance literature:

In ethanol; for 1.5h; Heating / reflux;

Reference yield:

3-trifluoromethylaniline (98-16-8) → N-(2-hydroxypropyl)-N'-[3-(trifluoromethyl)-phenyl]ethanediamide (433241-66-8)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / ethyl acetate / 0 - 25 °C / Inert atmosphere

2: ethanol / 0 - 75 °C / Reflux

With triethylamine; In ethanol; ethyl acetate;

Reference yield: 91.1%

N-(2-hydroxypropyl)-N'-[3-(trifluoromethyl)-phenyl]ethanediamide (433241-66-8) → N-(2-oxopropyl)-N'-[3-(trifluoromethyl)-phenyl]ethanediamide (956907-63-4)

Guidance literature:

With sodium bromate; ruthenium trichloride; In water; acetonitrile; for 1h;

upstream raw materials:

ethyl 2-oxo-2-((3-(trifluoromethyl)phenyl)amino)acetate

3-amino-2-propanol

3-trifluoromethylaniline

Downstream raw materials:

N-(2-oxopropyl)-N'-[3-(trifluoromethyl)-phenyl]ethanediamide

5-Methyl-3-oxo-4-(3-trifluoromethyl-phenyl)-3,4-dihydro-pyrazine-2-carboxylic acid methyl ester

6-methyl-1-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrazine-2,3-dione

3-bromo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyrazin-2(1H)-one