1-(2,6-Difluoro-4-methoxyphenyl)ethanone

Base Information

• Chemical Name: 1-(2,6-Difluoro-4-methoxyphenyl)ethanone
• CAS No.: 886498-84-6
• Molecular Formula: C₉H₈F₂O₂
• Molecular Weight: 186.158
• Hs Code.: 2914790090
• DSSTox Substance ID: DTXSID40397345
• Nikkaji Number: J2.891.902F
• Wikidata: Q72463129
• Mol file: 886498-84-6.mol

Synonyms:886498-84-6;2',6'-Difluoro-4'-methoxyacetophenone;1-(2,6-difluoro-4-methoxyphenyl)ethanone;MFCD04115921;1-(2,6-difluoro-4-methoxyphenyl)ethan-1-one;1-(2,6-difluoro-4-methoxy-phenyl)ethanone;2 ,6 -Difluoro-4 -methoxyacetophenone;SCHEMBL2382494;DTXSID40397345;YZVNPIUPAKOREH-UHFFFAOYSA-N;BBL100939;CL9315;STL554733;AKOS005256481;AC-26274;AMY202100131;MS-20106;EN300-201670;A842810

Chemical Property of 1-(2,6-Difluoro-4-methoxyphenyl)ethanone

Chemical Property:

• Boiling Point: 224.2 °C at 760 mmHg
• Flash Point: 87 °C
• PSA: 26.30000
• Density: 1.213 g/cm³
• LogP: 2.17600
• Storage Temp.: Sealed in dry,Room Temperature
• 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

2'',6''-Difluoro-4''-methoxyacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=C(C=C1F)OC)F

Technology Process of 1-(2,6-Difluoro-4-methoxyphenyl)ethanone

There total 3 articles about 1-(2,6-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: 93.0%

1-(2-fluoro-4-methoxyphenyl)-1-ethanone (74457-86-6) → 1-(2,6-difluoro-4-methoxyphenyl)ethan-1-one (886498-84-6)

Guidance literature:

With palladium diacetate; silver nitrate; N-fluorobis(benzenesulfon)imide; methyl carbamate; In dichloromethane; at 95 ℃; for 24h; Sealed tube;

DOI:10.1039/d1cc01047f

Reference yield: 63.0%

2,6-difluoro-4-methoxybenzoic acid (123843-65-2) + acetonitrile (75-05-8,26809-02-9) → 1-(2,6-difluoro-4-methoxyphenyl)ethan-1-one (886498-84-6)

Guidance literature:

2,6-difluoro-4-methoxybenzoic acid; acetonitrile; With palladium(II) trifluoroacetate; 6-methyl-2,2'-bipyridine; In water; at 130 ℃; for 1h; Microwave irradiation;

With formic acid; In water; at 100 ℃; for 1h;

DOI:10.1002/anie.201003009

Reference yield: 58.0%

3,5-difluoroanisol (93343-10-3) + acetyl chloride (75-36-5) → 1-(2,6-difluoro-4-methoxyphenyl)ethan-1-one (886498-84-6)

Guidance literature:

acetyl chloride; aluminum (III) chloride; In dichloromethane; at 0 ℃; for 0.5h;

3,5-difluoroanisol; In dichloromethane; at 20 ℃; for 2h;

upstream raw materials:

2,6-difluoro-4-methoxybenzoic acid

acetonitrile

3,5-difluoroanisol

acetyl chloride

Downstream raw materials:

N-[4-(2,6-difluoro-4-methoxyphenyl)thiazol-2-yl]pyridine-4-carboxamide

Refernces

• 1、 -. "IMPROVED MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR". Paragraph 00316. . Retrieved 2013/06/27.
• 2、 Lindh, Jonas,Sjoeberg, Per J. R.,Larhed, Mats. "Synthesis of aryl ketones by palladium(II)-catalyzed decarboxylative addition of benzoic acids to nitriles". supporting information; experimental part. p. 7733 - 7737. Retrieved 2011/01/05.