2,3,6-Trifluoroanisole

Base Information

• Chemical Name: 2,3,6-Trifluoroanisole
• CAS No.: 4920-34-7
• Molecular Formula: C7H5F3O
• Molecular Weight: 162.11
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID30380302
• Nikkaji Number: J3.302.214J
• Wikidata: Q72510822
• Mol file: 4920-34-7.mol

Synonyms:2,3,6-Trifluoroanisole;4920-34-7;1,2,4-trifluoro-3-methoxybenzene;3-Methoxy-1,2,4-trifluorobenzene;SCHEMBL1994314;DTXSID30380302;MFCD01631501;AKOS006230580;AC-3818;AM62011;JS-4215;Benzene, 1,2,4-trifluoro-3-methoxy-;FT-0609478;FT-0653949;A19876

Chemical Property of 2,3,6-Trifluoroanisole

Chemical Property:

• Vapor Pressure: 5.53mmHg at 25°C
• Refractive Index: 1.445
• Boiling Point: 147.7 °C at 760 mmHg
• Flash Point: 49.1 °C
• PSA: 9.23000
• Density: 1.285 g/cm³
• LogP: 2.11250
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 162.02924926
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

2,3,6-Trifluoroanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1F)F)F

Technology Process of 2,3,6-Trifluoroanisole

There total 4 articles about 2,3,6-Trifluoroanisole 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: 70.0%

1-methyl-pyrrolidin-2-one (872-50-4,26138-58-9) + 3-methoxy-2,4,5-trifluorobenzoic acid (112811-65-1) → 2,3,6-trifluoroanisole (4920-34-7)

Guidance literature:

In water;

Reference yield:

1,2,3,4-tetrafluorobenzene (551-62-2) + sodium methylate (124-41-4) → 2,3,6-trifluoroanisole (4920-34-7)

Guidance literature:

In methanol;

DOI:10.1016/S0022-1139(00)82583-X

Reference yield:

1,2,3,4-tetrafluorobenzene (551-62-2) → 2,3,6-trifluoroanisole (4920-34-7)

Guidance literature:

With sodium methylate; In methanol; at -58 ℃; Rate constant;

upstream raw materials:

1,2,3,4-tetrafluorobenzene

sodium methylate

1-methyl-pyrrolidin-2-one

3-methoxy-2,4,5-trifluorobenzoic acid

Refernces

• 1、 Chambers, Richard D.,Sargent, Colin R.,Silvester Michael J.,Drakesmith, Frederick G.. "Polyfluorinated Radical Cations". . p. 257 - 262. Retrieved 2007/10/02.