2'-Fluoro-6'-methoxyacetophenone

Base Information

• Chemical Name: 2'-Fluoro-6'-methoxyacetophenone
• CAS No.: 120484-50-6
• Molecular Formula: C9H9FO2
• Molecular Weight: 168.168
• Hs Code.: 2914700090
• European Community (EC) Number: 642-477-3
• DSSTox Substance ID: DTXSID80372010
• Wikidata: Q72474231
• Mol file: 120484-50-6.mol

Synonyms:120484-50-6;1-(2-fluoro-6-methoxyphenyl)ethanone;2'-Fluoro-6'-methoxyacetophenone;2-FLUORO-6-METHOXYACETOPHENONE;C9H9FO2;MFCD00671762;1-(2-fluoro-6-methoxyphenyl)ethan-1-one;1-(2-Fluoro-6-methoxy-phenyl)ethanone;Ethanone, 1-(2-fluoro-6-methoxyphenyl)-;SCHEMBL1957640;DTXSID80372010;POHCKHGBDOTACV-UHFFFAOYSA-N;2/'-Fluoro-6/'-methoxyacetophenone;CK2586;AKOS000221677;CS-W019467;FS-1314;SY018441;EN300-90513;A804520;J-509487;2 inverted exclamation mark -Fluoro-6 inverted exclamation mark -methoxyacetophenone

Chemical Property of 2'-Fluoro-6'-methoxyacetophenone

Chemical Property:

• Refractive Index: 1.508
• Boiling Point: 216.8 °C at 760 mmHg
• Flash Point: 82.7 °C
• PSA: 26.30000
• Density: 1.127 g/cm³
• LogP: 2.03690
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 168.05865769
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

98%min ^*data from raw suppliers

1-(2-Fluoro-6-methoxyphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=CC=C1F)OC
• Uses: 1-(2-Fluoro-6-methoxyphenyl)ethanone is a useful synthetic intermediate. It is used to prepare spiro[2H-1-benzopyran-2,4''-piperidine] derivatives as glycine transport inhibitors.

Technology Process of 2'-Fluoro-6'-methoxyacetophenone

There total 6 articles about 2'-Fluoro-6'-methoxyacetophenone 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%

2-fluoro-6-methoxybenzonitrile (94088-46-7) → 1-(2-Fluoro-6-methoxyphenyl)ethanone (120484-50-6)

Guidance literature:

With hydrogenchloride; methyl magnesium iodide; In diethyl ether;

Reference yield: 86.0%

1-(2-fluoro-6-methoxyphenyl)ethan-1-ol (120484-49-3) → 1-(2-Fluoro-6-methoxyphenyl)ethanone (120484-50-6)

Guidance literature:

With dipyridinium dichromate; In N,N-dimethyl-formamide; at 20 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.5b12214

Reference yield:

methylmagnesium bromide (75-16-1) + 2-fluoro-6-methoxybenzonitrile (94088-46-7) → 1-(2-Fluoro-6-methoxyphenyl)ethanone (120484-50-6)

Guidance literature:

methylmagnesium bromide; 2-fluoro-6-methoxybenzonitrile; In tetrahydrofuran; for 6h; Reflux;

With hydrogenchloride; In water; at 75 ℃; for 20h;

DOI:10.1016/j.bmcl.2011.10.068

upstream raw materials:

2-fluoro-6-methoxybenzonitrile

1-fluoro-3-methoxybenzene

N-Methoxy-N-methylacetamide

methylmagnesium bromide

Downstream raw materials:

C₁₇H₁₁FO₄

2-((4-Amino-3-(3-fluoro-4-isopropoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-3-(3-fluorophenyl)-5-methoxy-4H-chromen-4-one

2-((4-amino-3-(3-fluoro-4-isopropoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-5-fluoro-3-(3-fluorophenyl)-4H-chromen-4-one

2-((4-amino-3-(3-fluoro-5-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-5-fluoro-3-(3-fluorophenyl)-4H-chromen-4-one

Refernces

• 1、 Bryan, Marian C.,Biswas, Kaustav,Peterkin, Tanya A.N.,Rzasa, Robert M.,Arik, Leyla,Lehto, Sonya G.,Sun, Hong,Hsieh, Feng-Yin,Xu, Cen,Fremeau, Robert T.,Allen, Jennifer R.. "Chromenones as potent bradykinin B1 antagonists". scheme or table. p. 619 - 622. Retrieved 2012/02/04.
• 2、 -. "NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES". . . Retrieved 2012/12/13.