2,5-Difluoroanisole

Base Information

• Chemical Name: 2,5-Difluoroanisole
• CAS No.: 75626-17-4
• Molecular Formula: C7H6F2O
• Molecular Weight: 144.121
• Hs Code.: 29093090
• DSSTox Substance ID: DTXSID70369318
• Nikkaji Number: J2.400.911D
• Wikidata: Q72462358
• Mol file: 75626-17-4.mol

Synonyms:2,5-Difluoroanisole;75626-17-4;1,4-Difluoro-2-methoxybenzene;Benzene, 1,4-difluoro-2-methoxy-;MFCD00042561;2,5-difluoro-1-methoxybenzene;2,5-difluoroanisol;2,5-Difluoro Anisole;SCHEMBL197623;DTXSID70369318;AKOS005254743;AC-3786;AM62094;CS-W016399;PS-8981;D3805;FT-0610347;EN300-71512;A19864;J-507334

Chemical Property of 2,5-Difluoroanisole

Chemical Property:

• Appearance/Colour: Clear colorless liquid
• Vapor Pressure: 7.2mmHg at 25°C
• Melting Point: 59-60 °C(Solv: ethanol (64-17-5))
• Refractive Index: 1.4735-1.4755
• Boiling Point: 141.8 °C at 760 mmHg
• Flash Point: 45.4 °C
• PSA: 9.23000
• Density: 1.182 g/cm³
• LogP: 1.97340
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 144.03867113
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,5-Difluoroanisole ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)F)F
• Uses: 2,5-Difluoroanisole is a reactant used in the synthesis of α-aryl amino acids.

Technology Process of 2,5-Difluoroanisole

There total 3 articles about 2,5-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: 89.0%

2,5-difluorophenol (2713-31-7) + dimethyl sulfate (77-78-1) → 2,5-difluoroanisole (75626-17-4)

Guidance literature:

With potassium carbonate; In acetone; for 2h; Heating;

DOI:10.1021/jo00314a054

Reference yield:

para-difluorobenzene (540-36-3) → 2,5-difluoroanisole (75626-17-4)

Guidance literature:

Multi-step reaction with 2 steps

2: 89 percent / K₂CO₃ / acetone / 2 h / Heating

With potassium carbonate; In acetone;

DOI:10.1021/jo00314a054

Reference yield:

→ 2,5-difluoroanisole (75626-17-4)

Guidance literature:

upstream raw materials:

2,5-difluorophenol

dimethyl sulfate

para-difluorobenzene

Downstream raw materials:

(E)-[4-[4-(allyl-methyl-amino)-but-2-enyloxy]-2,5-difluoro-phenyl]-(2,4-difluoro-phenyl)-methanone.hydrochloride

(E)-[2,5-difluoro-4-(4-dimethylamino-but-2-enyloxy)-phenyl]-(2,4-difluoro-phenyl)-methanone.hydrochloride

(2Z)-3-(3,6-difluoro-2-methoxyphenyl)-2-propen-1-ol

(3,6-difluoro-2-methoxyphenyl)boronic acid

Refernces

• 1、 -. "Cephalosporins". . . Retrieved 2008/06/13.
• 2、 Ladd, David L.,Weinstock, Joseph. "Improved Synthesis of Fluoroveratroles and Fluorophenethylamines via Organolithium Reagents". . p. 203 - 206. Retrieved 2007/10/02.