3-Fluorophenylacetone

Base Information

• Chemical Name: 3-Fluorophenylacetone
• CAS No.: 1737-19-5
• Molecular Formula: C9H9FO
• Molecular Weight: 152.168
• Hs Code.: 29141900
• Mol file: 1737-19-5.mol

Synonyms:3-Fluorophenyl-2-propanone;2-propanone, 1-(3-fluorophenyl)-;1-(3-Fluorophenyl)acetone;3-Fluorophenylacetone 97%;

Chemical Property of 3-Fluorophenylacetone

Chemical Property:

• Appearance/Colour: clear yellow-green liquid
• Vapor Pressure: 0.345mmHg at 25°C
• Refractive Index: 1.497
• Boiling Point: 199.261 °C at 760 mmHg
• Flash Point: 82.761 °C
• PSA: 17.07000
• Density: 1.086 g/cm³
• LogP: 1.95720
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Soluble in chloroform, ethyl Acetate.

Purity/Quality:

95%min ^*data from raw suppliers

3-Fluorophenylacetone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi,Xn
• Statements: 36/37/38-52-22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Fluorophenylacetone is used in the preparation of of optically active cyanohydrins. 3-Fluorophenylaceton is reactant in chiral amine synthesis.

Technology Process of 3-Fluorophenylacetone

There total 19 articles about 3-Fluorophenylacetone 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: 97.0%

methyllithium (917-54-4) + (3-fluorophenyl)acetic acid (331-25-9) → (3-fluorophenyl)acetone (1737-19-5)

Guidance literature:

With lithium bromide; In tetrahydrofuran; diethyl ether; for 1h; Heating;

DOI:10.1021/jm00156a009

Reference yield: 67.0%

(RS,RS)-2-(3'-fluorophenyl)-3-methyloxirane → (3-fluorophenyl)acetone (1737-19-5) + (RS,RS)-1-fluoro-1-(3'-fluorophenyl)propan-2-ol

Guidance literature:

(RS,RS)-2-(3'-fluorophenyl)-3-methyloxirane; With boron trifluoride diethyl etherate; In dichloromethane; at -20 ℃; for 0.166667h;

With water; sodium hydrogencarbonate; In dichloromethane; optical yield given as %de; stereoselective reaction;

DOI:10.1021/ol100862s

Reference yield: 67.0%

3-fluorobromobenzene (1073-06-9) + acetone (67-64-1) → (3-fluorophenyl)acetone (1737-19-5)

Guidance literature:

With bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; C₂₄H₂₆NOP; caesium carbonate; at 90 ℃; for 16h; Inert atmosphere; sealed vial;

DOI:10.1021/ja200009c

upstream raw materials:

acetyl chloride

1-(Bromomethyl)-3-fluorobenzene

fluorobenzene

acetone

Downstream raw materials:

1-(3-hydroxyphenyl)propan-2-one

1-(3-fluorophenyl)propan-2-ol

(±)-1-(3-fluorophenyl)propan-2-amine

1-(3-methoxyphenyl)propan-2-one

Refernces

• 1、 Amgoune, Abderrahmane,Derhamine, Sary Abou,Krachko, Tetiana,Monteiro, Nuno,Pilet, Guillaume,Schranck, Johannes,Tlili, Anis. "Nickel-Catalyzed Mono-Selective α-Arylation of Acetone with Aryl Chlorides and Phenol Derivatives". supporting information. p. 18948 - 18953. Retrieved 2020/09/01.
• 2、 Cresswell, Alexander J.,Davies, Stephen G.,Figuccia, Aude L.A.,Fletcher, Ai M.,Heijnen, Dorus,Lee, James A.,Morris, Melloney J.,Kennett, Alice M.R.,Roberts, Paul M.,Thomson, James E.. "Pinacolatoboron fluoride (pinBF) is an efficient fluoride transfer agent for diastereoselective synthesis of benzylic fluorides". . p. 3373 - 3377. Retrieved 2015/06/02.