2,2-DIMETHYL-3'-FLUOROPROPIOPHENONE

Base Information

• Chemical Name: 2,2-DIMETHYL-3'-FLUOROPROPIOPHENONE
• CAS No.: 62681-85-0
• Molecular Formula: C11H13FO
• Molecular Weight: 180.21900
• Hs Code.: 2914700090
• Mol file: 62681-85-0.mol

Synonyms:1-Propanone,1-(3-fluorophenyl)-2,2-dimethyl;1-(3-fluorophenyl)-2,2-dimethyl-1-propanone;2,2-DIMETHYL-3'-FLUOROPROPIOPHENONE;2,2-DIMETHYL CYCLOPROPYL CYANIDE;

Chemical Property of 2,2-DIMETHYL-3'-FLUOROPROPIOPHENONE

Chemical Property:

• Vapor Pressure: 0.0511mmHg at 25°C
• Boiling Point: 235oC at 760 mmHg
• Flash Point: 91.7oC
• PSA: 17.07000
• Density: 1.031g/cm3
• LogP: 3.05450

Purity/Quality:

97% ^*data from raw suppliers

1-(3-fluorophenyl)-2,2-dimethylpropan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2,2-DIMETHYL-3'-FLUOROPROPIOPHENONE

There total 5 articles about 2,2-DIMETHYL-3'-FLUOROPROPIOPHENONE 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: 71.0%

pivaloyl chloride (3282-30-2) + (3-fluorophenyl)tri-n-butyltin (62942-25-0) → 1-(3-fluorophenyl)-2,2-dimethyl-1-propanone (62681-85-0)

Guidance literature:

In 1,2-dichloro-benzene; at 180 ℃; for 5h; Inert atmosphere;

DOI:10.1016/j.jorganchem.2009.07.019

Reference yield:

tert-butylmagnesium chloride (677-22-5) + 3-fluorobenzoyl chloride (1711-07-5) → 1-(3-fluorophenyl)-2,2-dimethyl-1-propanone (62681-85-0)

Guidance literature:

In diethyl ether; at -78 ℃; Reflux;

DOI:10.1039/c3ob40535d

Reference yield:

bromo(3-fluorophenyl)magnesium (17318-03-5) + pivaloyl chloride (3282-30-2) → 1-(3-fluorophenyl)-2,2-dimethyl-1-propanone (62681-85-0)

Guidance literature:

In tetrahydrofuran; at -78 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.orglett.1c02398

upstream raw materials:

3-fluorobromobenzene

pivaloyl chloride

tert-butyl isocyanide

(3-fluorophenyl)tri-n-butyltin

Downstream raw materials:

N-(1-(3-fluorophenyl)-2,2-dimethylpropylidene)-1,2-diphenylethylamine

Toluene-4-sulfonic acid 1-(3-fluoro-phenyl)-2,2-dimethyl-propyl ester

Refernces

• 1、 Jennings, W. Brian,O'Connell, Niamh,Malone, John F.,Boyd, Derek R.. "An evaluation of substituent effects on aromatic edge-to-face interactions and CF-π versus CH-π interactions using an imino torsion balance model". . p. 5278 - 5291. Retrieved 2013/08/23.
• 2、 Tsuji,Fujio,Tsuno. "Substituent effects 22.1()) The solvolysis of α-t-butylbenzyl tosylates2())". . p. 856 - 866. Retrieved 2007/10/02.