3,5-Difluoroanisole

Base Information

• Chemical Name: 3,5-Difluoroanisole
• CAS No.: 93343-10-3
• Molecular Formula: C7H6F2O
• Molecular Weight: 144.121
• Hs Code.: 29093090
• DSSTox Substance ID: DTXSID00369144
• Nikkaji Number: J701.601H
• Wikidata: Q72462355
• Mol file: 93343-10-3.mol

Synonyms:3,5-Difluoroanisole;93343-10-3;1,3-difluoro-5-methoxybenzene;3,5-difluoro-1-methoxybenzene;Benzene, 1,3-difluoro-5-methoxy-;3,5-difluoro anisole;1,3-difluoro-5-methoxy-benzene;3.5-difluoroanisole;3,5-Difluoroanisole, 97%;SCHEMBL186502;OTGQPYSISUUHAF-UHFFFAOYSA-;DTXSID00369144;CL8597;MFCD00042560;AKOS009157093;AC-3790;AM62146;CS-W016404;PS-8977;D2463;FT-0614588;EN300-91212;A19494;J-511323;InChI=1/C7H6F2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3

Chemical Property of 3,5-Difluoroanisole

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 21.5mmHg at 25°C
• Refractive Index: n20/D 1.466(lit.)
• Boiling Point: 116.6 °C at 760 mmHg
• Flash Point: 43.9 °C
• PSA: 9.23000
• Density: 1.182 g/cm³
• LogP: 1.97340
• Storage Temp.: Flammables area
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 144.03867113
• Heavy Atom Count: 10
• Complexity: 97.8

Purity/Quality:

98% ^*data from raw suppliers

3,5-Difluoroanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,F
• Hazard Codes: Xi,F
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39-7/9

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1)F)F

Technology Process of 3,5-Difluoroanisole

There total 7 articles about 3,5-Difluoroanisole 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: 100.0%

3,5-difluorophenol (2713-34-0) + methyl iodide (74-88-4) → 3,5-difluoroanisol (93343-10-3)

Guidance literature:

With potassium carbonate; In acetone; at 40 ℃; for 5h;

DOI:10.1016/j.tetlet.2003.10.109

Reference yield:

2,6-difluoro-4-methoxybenzoic acid (123843-65-2) → 3,5-difluoroanisol (93343-10-3)

Guidance literature:

With [Rh(OH)(cod)]2; 1,3-bis-(diphenylphosphino)propane; water; sodium hydroxide; In toluene; at 110 ℃; for 12h; Inert atmosphere;

DOI:10.1021/ol100001b

Reference yield:

4,4,5,5-tetramethyl-2-(2,4,6-trifluorophenyl)-1,3,2-dioxaborolane (325143-04-2) → 3,5-difluoroanisol (93343-10-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 1,4-dioxane / 26.84 °C

2: potassium hydroxide; trifluoroacetic acid / 1,4-dioxane; water / 26.84 °C / pH > 13

With trifluoroacetic acid; potassium hydroxide; In 1,4-dioxane; water;

DOI:10.1021/jacs.1c06863

upstream raw materials:

1,3,5-trifluorobenzene

potassium methanolate

methanol

2,4,6-trifluoroaniline

Downstream raw materials:

5-bromo-2-(2,6-difluoro-4-methoxyphenyl)pyrimidine

1,5-difluoro-3-methoxy-2-nitrobenzene

(RS)-(2,6-difluoro-4-methoxy-phenyl)-hydroxy-acetic acid ethyl ester

2,6-difluoro-4-methoxybenzenesulfonyl chloride

Refernces

• 1、 -. "TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF". Paragraph 00138. . Retrieved 2018/04/11.
• 2、 Cox, Paul A.,Reid, Marc,Leach, Andrew G.,Campbell, Andrew D.,King, Edward J.,Lloyd-Jones, Guy C.. "Base-Catalyzed Aryl-B(OH)2 Protodeboronation Revisited: From Concerted Proton Transfer to Liberation of a Transient Aryl Anion". supporting information. p. 13156 - 13165. Retrieved 2017/09/26.