Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium

Base Information

• Chemical Name: Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium
• CAS No.: 6833-52-9
• Molecular Formula: C₉H₉IO₃
• Molecular Weight: 292.073
• DSSTox Substance ID: DTXSID50410630
• Wikidata: Q82216821

Synonyms:6833-52-9;diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium;DTXSID50410630

Chemical Property of Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium

Chemical Property:

• Vapor Pressure: 3.2E-05mmHg at 25°C
• Boiling Point: 355.1°Cat760mmHg
• Flash Point: 168.6°C
• Density: g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 275.13712269
• Heavy Atom Count: 19
• Complexity: 290

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[NH+](CC)CC(=O)NC1=CC=CC(=C1)C(F)(F)F

Technology Process of Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium

There total 1 articles about Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium 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:

2-Iodophenol (533-58-4) + 2-Bromopropionic acid (598-72-1,10327-08-9) → (RS)-2-(2-iodophenoxy)propionic acid (10057-04-2,10442-43-0,10442-44-1,6833-52-9)

Guidance literature:

With sodium hydroxide; In water; at 40 - 100 ℃; for 6h; Inert atmosphere;

DOI:10.3998/ark.5550190.0013.612

Reference yield: 23.0%

(RS)-2-(2-iodophenoxy)propionic acid (10057-04-2,10442-43-0,10442-44-1,6833-52-9) → (R)-2-(2-iodophenoxy)propanoic acid (10057-04-2) + (S)-2-(2-iodophenoxy)propionic acid (10442-43-0)

Guidance literature:

With Chiralcel OD-H; In hexane; isopropyl alcohol; trifluoroacetic acid; Reagent/catalyst; Solvent; Resolution of racemate;

DOI:10.1007/s11172-021-3165-8

Reference yield:

(RS)-2-(2-iodophenoxy)propionic acid (10057-04-2,10442-43-0,10442-44-1,6833-52-9) → 2-(o-iodophenoxy)acyl chloride (1374302-85-8)

Guidance literature:

With thionyl chloride; In chloroform; at 70 ℃; Inert atmosphere;

DOI:10.3998/ark.5550190.0013.612

upstream raw materials:

2-Iodophenol

2-Bromopropionic acid

Downstream raw materials:

3,4-dihydro-2-methyl-4-(4-methylphenyl)-3-oxo-2H-1,4-benzoxazine

2-methyl-4-m-tolyl-2H-1,4-benzoxazin-3(4H)-one

4-(4-methoxyphenyl)-2-methyl-2H-benzo[b]-[1,4]oxazin-3(4H)-one

2-methyl-4-phenyl-2H-benzo[b][1,4]oxazin-3(4H)-one

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