3,4-Difluoroanisole

Base Information

• Chemical Name: 3,4-Difluoroanisole
• CAS No.: 115144-40-6
• Molecular Formula: C7H6F2O
• Molecular Weight: 144.121
• Hs Code.: 29093090
• DSSTox Substance ID: DTXSID60340878
• Nikkaji Number: J2.642.371F
• Wikidata: Q72462352
• Mol file: 115144-40-6.mol

Synonyms:3,4-Difluoroanisole;115144-40-6;1,2-difluoro-4-methoxybenzene;Benzene, 1,2-difluoro-4-methoxy-;1,2-Difluoro-4-methoxy-benzene;3,4-difluoro-1-methoxybenzene;3,4-difluoro-anisole;3,4-Difluoro Anisole;Difluorobenzene,1-methoxy;3,4-Difluoroanisole, 97%;SCHEMBL254529;SCHEMBL12015249;DTXSID60340878;1,2-difluoro-4-(methyloxy)benzene;CS-M0333;MFCD00010730;AKOS005063673;AC-3791;AM61738;PS-8979;BP-10872;PHENYLPYRUVICACIDSODIUMSALTMONOHYDRATE;D2856;FT-0602465;FT-0652308;EN300-197452;J-511151

Chemical Property of 3,4-Difluoroanisole

Chemical Property:

• Appearance/Colour: clear, colorless viscous liquid
• Refractive Index: n20/D 1.469(lit.)
• Boiling Point: 149.6 °C at 760 mmHg
• Flash Point: 55 °C
• PSA: 9.23000
• Density: 1.216 g/cm³
• LogP: 1.97340
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• 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:

97% ^*data from raw suppliers

3,4-Difluoroanisole ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3,4-Difluoroanisole

There total 2 articles about 3,4-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: 30.0%

3,4-difluorophenol (2713-33-9) + methyl iodide (74-88-4) → 1,2-difluoro-4-methoxy-benzene (115144-40-6)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 0 - 25 ℃; for 0.75h;

DOI:10.1016/j.bmcl.2018.06.047

Reference yield:

C7H6BF4O(1-)*K(1+) → 1-fluoro-3-methoxybenzene (456-49-5) + 1,2-difluoro-4-methoxy-benzene (115144-40-6)

Guidance literature:

With lithium hydroxide monohydrate; silver trifluoromethanesulfonate; Selectfluor; In ethyl acetate; at 55 ℃; Sealed tube;

DOI:10.1016/j.tet.2014.10.055

Reference yield: 95.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 1,2-difluoro-4-methoxy-benzene (115144-40-6) → 2,3-difluoro-6-methoxybenzaldehyde (187543-87-9)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2004.08.005

upstream raw materials:

3,4-difluorophenol

methyl iodide

Downstream raw materials:

2,3-difluoro-6-methoxybenzaldehyde

cyclopent-3-enyl-(2,3-difluoro-6-methoxy-phenyl)-methanol

2-Cyclopent-3-enylmethyl-3,4-difluoro-1-methoxy-benzene

2-Cyclopent-3-enylmethyl-3,4-difluoro-phenol