1-Ethoxy-4-(trifluoromethyl)benzene

Base Information

• Chemical Name: 1-Ethoxy-4-(trifluoromethyl)benzene
• CAS No.: 2366-92-9
• Molecular Formula: C9H9F3O
• Molecular Weight: 190.165
• European Community (EC) Number: 852-402-8
• Mol file: 2366-92-9.mol

Synonyms:1-ethoxy-4-(trifluoromethyl)benzene;2366-92-9;starbld0011480;SCHEMBL8237725;OUOOHQJBDVNKEP-UHFFFAOYSA-N;EN300-8187294

Chemical Property of 1-Ethoxy-4-(trifluoromethyl)benzene

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 190.06054939
• Heavy Atom Count: 13
• Complexity: 147

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)C(F)(F)F

Technology Process of 1-Ethoxy-4-(trifluoromethyl)benzene

There total 8 articles about 1-Ethoxy-4-(trifluoromethyl)benzene 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: 90.3%

4-hydroxybenzotrifluoride (402-45-9) + ethyl iodide (75-03-6) → 1-ethoxy-4-(trifluoromethyl)benzene (2366-92-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

DOI:10.1134/S1070363221100273

Reference yield: 57.0%

1-ethoxy-4-iodobenzene (699-08-1) + 4-[2,2,2-trifluoro-1-(trimethylsilyloxy)ethyl]morpholine (289706-46-3) → 1-ethoxy-4-(trifluoromethyl)benzene (2366-92-9)

Guidance literature:

With copper(l) iodide; 1,10-Phenanthroline; cesium fluoride; In diethylene glycol dimethyl ether; at 80 ℃; for 24h; Inert atmosphere;

DOI:10.1002/adsc.201000825

Reference yield: 50.0%

ethanol (64-17-5) + p-trifluoromethylphenyl bromide (402-43-7) → 1-ethoxy-4-(trifluoromethyl)benzene (2366-92-9)

Guidance literature:

ethanol; With tris[2-phenylpyridinato-C₂,N]iridium(III); nickel(II) bromide dimethoxyethane; 4,4'-Dimethoxy-2,2'-bipyridin; potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.0833333h;

p-trifluoromethylphenyl bromide; In N,N-dimethyl-formamide; at 35 ℃; for 18h; Sealed tube; Irradiation;

DOI:10.1002/chem.202000052

upstream raw materials:

ethanol

4-chlorobenzotrifluoride

4-chlorotrichloromethylbenzene

1-ethoxy-4-iodobenzene

Downstream raw materials:

2-ethoxy-5-(trifluoromethyl)benzaldehyde

Refernces

• 1、 Chen, Weiming,Hu, Wei,Zeng, Qiang. "Improved Synthesis of First Cell-Permeable Allosteric PTPRZ Inhibitor NAZ2329". . p. 2095 - 2100. Retrieved 2021/11/13.
• 2、 Xiao, Chang,Zhang, Song-Lin. "Isolation of OH-bridged Ag(i)/Cu(iii) and ion-pair Cu(i)/Cu(iii) trifluoromethyl complexes with monophosphines". supporting information. p. 848 - 853. Retrieved 2019/01/21.