1-(3,5-Difluoro-4-methoxyphenyl)ethanone

Base Information

• Chemical Name: 1-(3,5-Difluoro-4-methoxyphenyl)ethanone
• CAS No.: 170570-79-3
• Molecular Formula: C9H8 F2 O2
• Molecular Weight: 186.158
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID20371744
• Wikidata: Q82159193
• Mol file: 170570-79-3.mol

Synonyms:170570-79-3;1-(3,5-difluoro-4-methoxyphenyl)ethanone;3,5-Difluoro-4-methoxyacetophenone;3',5'-Difluoro-4'-methoxyacetophenone;1-(3,5-Difluoro-4-methoxyphenyl)ethan-1-one;SCHEMBL507133;DTXSID20371744;OUJZNFJFMAKGMS-UHFFFAOYSA-N;3.5-difluoro-4-methoxyacetophenone;MFCD00236243;AKOS015955992;PS-6536;CS-0132379;FT-0692006;3',5'-Difluoro-4'-methoxyacetophenone, 97%;A19707;D84164

Chemical Property of 1-(3,5-Difluoro-4-methoxyphenyl)ethanone

Chemical Property:

• Boiling Point: 266.9oC at 760 mmHg
• Flash Point: 111.8oC
• PSA: 26.30000
• Density: 1.213g/cm3
• LogP: 2.17600
• Storage Temp.: 2-8°C
• Water Solubility.: Insoluble in water.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 186.04923582
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

3',5'-Difluoro-4'-methoxyacetophenone 98% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C(=C1)F)OC)F
• Uses: 3',5'-Difluoro-4'-methoxyacetophenone, is used in agrochemical, pharmaceutical and dyestuff field.

Technology Process of 1-(3,5-Difluoro-4-methoxyphenyl)ethanone

There total 1 articles about 1-(3,5-Difluoro-4-methoxyphenyl)ethanone 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:

1,3-difluoro-2-methoxybenzene (437-82-1) + potassium carbonate (584-08-7) + acetyl chloride (75-36-5) + methyl iodide (74-88-4) → 1-(3,5-difluoro-4-methoxy-phenyl)ethanone (170570-79-3)

Guidance literature:

AlCl₃; In chloroform; water;

Reference yield: 91.0%

1-(3,5-difluoro-4-methoxy-phenyl)ethanone (170570-79-3) → 1-(3,5-difluoro-4-hydroxyphenyl)ethanone (133186-55-7)

Guidance literature:

With hydrogen bromide; In water; for 30h; Heating / reflux;

Reference yield: 85.0%

carbonic acid dimethyl ester (616-38-6) + 1-(3,5-difluoro-4-methoxy-phenyl)ethanone (170570-79-3) → methyl (3,5-difluoro-4-methoxybenzoyl)acetate (801233-40-9)

Guidance literature:

carbonic acid dimethyl ester; With sodium hydride; In tetrahydrofuran;

1-(3,5-difluoro-4-methoxy-phenyl)ethanone; In tetrahydrofuran; Reflux;

DOI:10.1021/acs.joc.7b02685

upstream raw materials:

1,3-difluoro-2-methoxybenzene

potassium carbonate

acetyl chloride

methyl iodide

Downstream raw materials:

methyl (3,5-difluoro-4-methoxybenzoyl)acetate

3-(3,5-difluoro-4-methoxy-phenyl)-3-oxo-propionic acid ethyl ester

1-(3,5-difluoro-4-hydroxyphenyl)ethanone

4-bromo-2-(3,5-difluoro-4-methoxyphenyl)-6-methoxyquinoline

Refernces

• 1、 -. "Substituted pyrazolyl benzenesulfonamides for the treatment of inflammation". . . Retrieved 2008/06/13.