13670-99-0

Basic information

• Product Name: 1-(2,6-Difluorophenyl)ethan-1-one
• Synonyms: 1-(2,6-Difluorophenyl)ethanone;Acetophenone, 2',6'-difluoro-;TIMTEC-BB SBB006686;2',6'-DIFLUOROACETOPHENONE;2,6-DIFLUOROACETOPHENONE;1-(2,6-difluorophenyl)ethan-1-one;2',6'-Difluoroacetophenone 98%;2',6'-Difluoroacetophenone98%
• CAS NO: 13670-99-0
• Molecular Formula: C₈H₆F₂O
• Molecular Weight: 156.13
• EINECS: 237-151-9
• Product Categories: Aromatic Acetophenones & Derivatives (substituted);ketone;Fluorobenzene;Miscellaneous;Adehydes, Acetals & Ketones;Fluorine Compounds;C7 to C8;Carbonyl Compounds;Ketones;Fluorine series;Indolines ,Indoles
• Mol File: 13670-99-0.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 76-79 °C15 mm Hg(lit.)
• Flash Point: 170 °F
• Appearance: Clear colorless to slightly yellow/Liquid
• Density: 1.197 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.48(lit.)
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
• Water Solubility: Slightly soluble in water.
• BRN: 2046068
• CAS DataBase Reference: 1-(2,6-Difluorophenyl)ethan-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2,6-Difluorophenyl)ethan-1-one(13670-99-0)
• EPA Substance Registry System: 1-(2,6-Difluorophenyl)ethan-1-one(13670-99-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 13670-99-0(Hazardous Substances Data)

Usage

Chemical Properties

Clear colourless to light yellow liquid

Uses

2?,6?-Difluoroacetophenone was used in the synthesis of 2-amino-4-alkyl- and 2-amino-4-arylquinazolines.

General Description

2′,6′-Difluoroacetophenone undergoes ruthenium-catalyzed phenylation with phenylboronate via carbon-fluorine bond cleavage to yield 2′,6′-diphenylacetophenone.

Upstream product

• 372-18-9 1,3-Difluorobenzene 
• 75-36-5 acetyl chloride 
• 98-86-2 acetophenone 
• 6148-64-7 ethyl potassium malonate 
• 18063-02-0 2,6-difluorobenzoylchloride 
• 105-53-3 diethyl malonate 
• 87327-65-9 2,6-Difluoro-alpha-methylbenzyl alcohol 
• 1897-52-5 2,6 difluorobenzonitrile 
• 108-24-7 acetic anhydride 
• 18611-72-8 (2,6-difluorophenyl)lithium 
• 133117-48-3 1,3-difluoro-2-trimethylsilylbenzene 
• 917-54-4 methyllithium 
• 676-58-4 methylmagnesium chloride 

Downstream Products

• 794464-16-7 2-(2,6-difluorophenyl)-2-oxoacetaldehyde 

Relevant articles and documents

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METHOD FOR PRODUCING BENZOYL FORMIC ACID COMPOUND AND PYRIDAZINE COMPOUND

The present invention provides an industrially-advantageous process for preparing a benzoyl formic acid compound, and an efficient process for preparing a pyridazine compound using the same process. Specifically, the present invention provides a process for preparing a compound represented by formula (2), which comprises a step (B): a step of reacting a compound represented by formula (1) with a nitrosyl sulfuric acid in water to produce the compound represented by formula (2).

Stereoselective amination of racemic sec-alcohols through sequential application of laccases and transaminases

A one-pot/two-step bienzymatic asymmetric amination of secondary alcohols is disclosed. The approach is based on a sequential strategy involving the use of a laccase/TEMPO catalytic system for the oxidation of alcohols into ketone intermediates, and their following transformation into optically enriched amines by using transaminases. Individual optimizations of the oxidation and biotransamination reactions have been carried out, studying later their applicability in a concurrent process. Therefore, 17 racemic (hetero) aromatic sec-alcohols with different substitutions in the aromatic ring have been converted into enantioenriched amines with good to excellent selectivities (90-99% ee) and conversion values (67-99%). The scalability of the process was also demonstrated when two different amine donors were used in the transamination step, such as isopropylamine and cis-2-buten-1,4-diamine. Satisfyingly, both sacrificial amine donors can shift the equilibrium toward the amine formation, leading to the corresponding isolated enantioenriched amines with good to excellent results.