4-(Trifluoromethyl)-1-tert-butoxybenzene

Base Information

• Chemical Name: 4-(Trifluoromethyl)-1-tert-butoxybenzene
• CAS No.: 16222-44-9
• Molecular Formula: C11H13 F3 O
• Molecular Weight: 218.219
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID90578960
• Nikkaji Number: J1.200.265C
• Wikidata: Q72510618
• Mol file: 16222-44-9.mol

Synonyms:16222-44-9;4-(Trifluoromethyl)-1-tert-butoxybenzene;4-(tert-Butoxy)benzotrifluoride;1-(tert-Butoxy)-4-(trifluoromethyl)benzene;1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene;1-tert-Butoxy-4-(trifluoromethyl)benzene;Benzene, 1-(1,1-dimethylethoxy)-4-(trifluoromethyl)-;SCHEMBL11887280;DTXSID90578960;YXTJJRXJNYHJPU-UHFFFAOYSA-N;MFCD09763645;AKOS015995501;p-(trifluoro-methyl)phenyl t-butyl ether;BS-21629;CS-0447700;4-(TERT-BUTOXY)BENZOTRIFLUORIDE, 97per cent MIN.;tert-Butyl 4-(trifluoromethyl)phenyl ether, 1-(tert-Butoxy)-4-(trifluoromethyl)benzene

Chemical Property of 4-(Trifluoromethyl)-1-tert-butoxybenzene

Chemical Property:

• Vapor Pressure: 0.188mmHg at 25°C
• Refractive Index: 1.439
• Boiling Point: 218℃
• Flash Point: 93℃
• PSA: 9.23000
• Density: 1.110
• LogP: 3.88270
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 218.09184952
• Heavy Atom Count: 15
• Complexity: 197

Purity/Quality:

98%Min ^*data from raw suppliers

4-(Trifluoromethyl)-1-tert-butoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC1=CC=C(C=C1)C(F)(F)F

Technology Process of 4-(Trifluoromethyl)-1-tert-butoxybenzene

There total 5 articles about 4-(Trifluoromethyl)-1-tert-butoxybenzene 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: 44.0%

p-trifluoromethylphenyl bromide (402-43-7) + potassium tert-butylate (865-47-4) → meta-trifluoromethylphenyl tert-butyl ether (16222-43-8) + para-trifluoromethylphenyl tert-butyl ether (16222-44-9)

Guidance literature:

In 1,4-dioxane; at 100 ℃; for 8h;

DOI:10.1055/s-2005-923596

Reference yield: 21.6%

4-Iodobenzotrifluoride (455-13-0) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → meta-trifluoromethylphenyl tert-butyl ether (16222-43-8) + para-trifluoromethylphenyl tert-butyl ether (16222-44-9)

Guidance literature:

With 1,4-diphenylpiperazine-2,5-dione; potassium tert-butylate; at 130 ℃; for 18h; Reagent/catalyst; Sealed tube; Inert atmosphere;

DOI:10.1039/c7ob00036g

Reference yield: 17.1%

p-trifluoromethylphenyl bromide (402-43-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → meta-trifluoromethylphenyl tert-butyl ether (16222-43-8) + para-trifluoromethylphenyl tert-butyl ether (16222-44-9)

Guidance literature:

With 1,4-diphenylpiperazine-2,5-dione; potassium tert-butylate; at 130 ℃; for 18h; Reagent/catalyst; Sealed tube; Inert atmosphere;

DOI:10.1039/c7ob00036g

upstream raw materials:

p-trifluoromethylphenyl bromide

sodium t-butanolate

potassium tert-butylate

4-chlorobenzotrifluoride

Downstream raw materials:

4-hydroxybenzotrifluoride

Refernces

• 1、 -. "POLY-N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES AND N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES FOR CARBON-SULFUR AND CARBON-OXYGEN COUPLING REACTIONS". Page/Page column 24-25. . Retrieved 2009/01/20.
• 2、 Artamkina,Sergeev,Shtern,Beletskaya. "Urea as ammonia equivalent in aryl halides amination catalyzed by palladium complexes". . p. 1683 - 1689. Retrieved 2007/10/03.