4-(2,2,2-TRIFLUOROETHOXY)PHENOL

Base Information

• Chemical Name: 4-(2,2,2-TRIFLUOROETHOXY)PHENOL
• CAS No.: 129560-99-2
• Molecular Formula: C8H7 F3 O2
• Molecular Weight: 192.138
• Hs Code.: 2909500000
• Mol file: 129560-99-2.mol

Synonyms:4-(2,2,2-Trifluoroethoxy)phenol

Chemical Property of 4-(2,2,2-TRIFLUOROETHOXY)PHENOL

Chemical Property:

• Boiling Point: 227.0±40.0 °C(Predicted)
• PKA: 9.97±0.15(Predicted)
• PSA: 29.46000
• Density: 4 g/cm3
• LogP: 2.33330

Purity/Quality:

98%min ^*data from raw suppliers

4-(2,2,2-Trifluoroethoxy)phenol ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(2,2,2-TRIFLUOROETHOXY)PHENOL

There total 8 articles about 4-(2,2,2-TRIFLUOROETHOXY)PHENOL 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: 95.0%

1-(benzyloxy)-4-(2,2,2-trifluoroethoxy)benzene (200956-20-3) → 4-(2,2,2-trifluoroethoxy)phenol (129560-99-2)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.1016/j.bmcl.2005.05.028

Reference yield: 8.0%

2,2,2-trifluoroethanol (75-89-8) + N-(phenoxy)-4-methylbenzenesulfonamide (65109-75-3) → 2-hydroxyphenyl p-toluenesulfonimidate (65109-81-1) + 4-(2,2,2-trifluoroethoxy)phenol (129560-99-2) + 4-hydroxyphenyl trifluoromethanesulfonate (65109-80-0) + 2-O-(2,2,2-trifluoroethyl)catechol (160968-99-0)

Guidance literature:

With trifluorormethanesulfonic acid;

DOI:10.1021/ja00387a040

Reference yield: 7.0%

2,2,2-trifluoroethanol (75-89-8) + p-Iodophenol (540-38-5) → 4-(2,2,2-trifluoroethoxy)phenol (129560-99-2)

Guidance literature:

2,2,2-trifluoroethanol; With sodium; In N,N-dimethyl-formamide; at 60 ℃; Inert atmosphere;

p-Iodophenol; With copper(l) iodide; In N,N-dimethyl-formamide; at 130 ℃; for 6h; Inert atmosphere;

DOI:10.1039/c6ob00073h

upstream raw materials:

2,2,2-trifluoroethanol

N-(phenoxy)-4-methylbenzenesulfonamide

1-(4-(2,2,2-trifluoroethoxy)phenyl)ethan-1-one

1-(benzyloxy)-4-(2,2,2-trifluoroethoxy)benzene

Downstream raw materials:

2-chloro-4-(2,2,2-trifluoroethoxy)phenol

4-methoxy-aniline

ethyl 4-(2,2,2-trifluoroethoxy)-1-hydroxycyclohexanecarboxylate

1-hydroxy-4-(2,2,2-trifluoroethoxy)cyclohexanecarbonitrile

Refernces

• 1、 -. "NOVEL COMPOUND AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF". Paragraph 1147; 1148. . Retrieved 2019/11/05.
• 2、 Dichiarante, Valentina,Salvaneschi, Andrea,Protti, Stefano,Dondi, Daniele,Fagnoni, Maurizio,Albini, Angelo. "The β effect of silicon in phenyl cations". . p. 15919 - 15926. Retrieved 2008/09/20.