2-(Trifluoromethoxy)anisole

Base Information

• Chemical Name: 2-(Trifluoromethoxy)anisole
• CAS No.: 261952-22-1
• Molecular Formula: C8H7F3O2
• Molecular Weight: 192.14
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID10380406
• Nikkaji Number: J1.699.078G
• Wikidata: Q72511242
• Mol file: 261952-22-1.mol

Synonyms:2-(Trifluoromethoxy)anisole;1-methoxy-2-(trifluoromethoxy)benzene;261952-22-1;2-Trifluoromethoxyanisole;SCHEMBL625622;DTXSID10380406;MFCD01631503;AKOS015889473;AM61435;PS-8334;Benzene, 1-methoxy-2-(trifluoromethoxy)-;A5202;CS-0087899;FT-0651606;E89585

Chemical Property of 2-(Trifluoromethoxy)anisole

Chemical Property:

• Boiling Point: 145 ºC
• Flash Point: 47 ºC
• PSA: 18.46000
• Density: 1.249
• LogP: 2.59380
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 192.03981395
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

98% ^*data from raw suppliers

2-(Trifluoromethoxy)anisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1OC(F)(F)F

Technology Process of 2-(Trifluoromethoxy)anisole

There total 8 articles about 2-(Trifluoromethoxy)anisole 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: 94.0%

2-(trifluoromethoxy)phenol (32858-93-8) + methyl iodide (74-88-4) → 1-methoxy-2-(trifluoromethoxy)benzene (261952-22-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 1h; Inert atmosphere;

Reference yield: 77.0%

2-tri-n-butylstannylanisole (86487-17-4) + tris(dimethylamino)sulfonium trifluoromethoxide (96898-10-1) → 1-methoxy-2-(trifluoromethoxy)benzene (261952-22-1)

Guidance literature:

2-tri-n-butylstannylanisole; tris(dimethylamino)sulfonium trifluoromethoxide; With trifluoromethyl trifluoromethanesulfonate; sodium hydrogencarbonate; In tetrahydrofuran; at -30 ℃; Inert atmosphere;

With silver(I) hexafluorophosphate; 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(hexafluorophosphate); In tetrahydrofuran; acetone; at -30 - 23 ℃; Inert atmosphere; Darkness;

DOI:10.1021/ja204861a

Reference yield: 52.0%

1-(bromo(difluoro)methoxy)-2-methoxybenzene → 1-methoxy-2-(trifluoromethoxy)benzene (261952-22-1)

Guidance literature:

With silver tetrafluoroborate; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1002/anie.201504665

upstream raw materials:

2-(trifluoromethoxy)phenol

methyl iodide

2-tri-n-butylstannylanisole

tris(dimethylamino)sulfonium trifluoromethoxide

Downstream raw materials:

1-methoxy-4-nitro-2-(trifluoromethoxy)benzene