Ethanimidoyl iodide, 2,2,2-trifluoro-N-(4-methylphenyl)-

Base Information

• Chemical Name: Ethanimidoyl iodide, 2,2,2-trifluoro-N-(4-methylphenyl)-
• CAS No.: 134481-25-7
• Molecular Formula: C9H7F3IN
• Molecular Weight: 313.061
• DSSTox Substance ID: DTXSID90462794
• Nikkaji Number: J578.567G
• Mol file: 134481-25-7.mol

Synonyms:Ethanimidoyl iodide, 2,2,2-trifluoro-N-(4-methylphenyl)-;134481-25-7;DTXSID90462794;MIUAEDWNOOWXMQ-UHFFFAOYSA-N

Chemical Property of Ethanimidoyl iodide, 2,2,2-trifluoro-N-(4-methylphenyl)-

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 312.95753
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N=C(C(F)(F)F)I

Technology Process of Ethanimidoyl iodide, 2,2,2-trifluoro-N-(4-methylphenyl)-

There total 2 articles about Ethanimidoyl iodide, 2,2,2-trifluoro-N-(4-methylphenyl)- 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: 91.0%

N-(4-methylphenyl)-2,2,2-trifluoroacetimidoyl chloride (126855-72-9) → 2,2,2-Trifluoro-N-p-tolyl-acetimidoyl iodide (134481-25-7)

Guidance literature:

With sodium iodide; In acetone;

DOI:10.1016/0040-4039(91)80358-D

Reference yield:

p-toluidine (106-49-0,12221-03-3) → 2,2,2-Trifluoro-N-p-tolyl-acetimidoyl iodide (134481-25-7)

Guidance literature:

Multi-step reaction with 2 steps

1: triphenylphosphine, TEA, CCl₄ / Heating

2: NaI / acetone

With tetrachloromethane; TEA; triphenylphosphine; sodium iodide; In acetone;

DOI:10.1016/S0040-4039(00)74253-5

Reference yield: 98.0%

carbon monoxide (201230-82-2) + 2,2,2-Trifluoro-N-p-tolyl-acetimidoyl iodide (134481-25-7) + butan-1-ol (71-36-3) → 3,3,3-Trifluoro-2-[(E)-p-tolylimino]-propionic acid butyl ester (144008-19-5)

Guidance literature:

With potassium carbonate; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; In toluene; for 26h; under 760 Torr; Ambient temperature;

DOI:10.1016/S0040-4039(00)74253-5

upstream raw materials:

N-(4-methylphenyl)-2,2,2-trifluoroacetimidoyl chloride

p-toluidine

Downstream raw materials:

[(E)-3-Phenyl-1-trifluoromethyl-prop-2-en-(E)-ylidene]-p-tolyl-amine

ethyl 3,3,3-trifluoro-2-(p-tolylimino)propanoate

p-Tolyl-[(E)-1-trifluoromethyl-non-2-en-(E)-ylidene]-amine

[(E)-3-Benzenesulfonyl-1-trifluoromethyl-prop-2-en-(E)-ylidene]-p-tolyl-amine