120747-41-3

Basic information

• Product Name: 9-TRIFLUOROMETHYL-9H-FLUOREN-9-OL
• Synonyms: 9-TRIFLUOROMETHYL-9H-FLUOREN-9-OL;9-TRIFLUOROMETHYL-9H-FLUOROEN-9-OL;9-TRIFLUOROMETHYLFLUORENE-9-OL
• CAS NO: 120747-41-3
• Molecular Formula: C14H9F3O
• Molecular Weight: 250.22
• Mol File: 120747-41-3.mol

Chemical Properties

• Melting Point: 91°C
• Boiling Point: 348.8 °C at 760 mmHg
• Flash Point: 151.3 °C
• Appearance: /
• Density: 1.415 g/cm³
• Vapor Pressure: 1.85E-05mmHg at 25°C
• Refractive Index: 1.594
• CAS DataBase Reference: 9-TRIFLUOROMETHYL-9H-FLUOREN-9-OL(CAS DataBase Reference)
• NIST Chemistry Reference: 9-TRIFLUOROMETHYL-9H-FLUOREN-9-OL(120747-41-3)
• EPA Substance Registry System: 9-TRIFLUOROMETHYL-9H-FLUOREN-9-OL(120747-41-3)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36
• Hazardous Substances Data: 120747-41-3(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
9-TRIFLUOROMETHYL-9H-FLUOREN-9-OL is used as an intermediate in the synthesis of pharmaceuticals for its unique properties imparted by the trifluoromethyl group, which can enhance the activity and selectivity of the resulting drug molecules.
Used in Organic Synthesis:
9-TRIFLUOROMETHYL-9H-FLUOREN-9-OL is used as a building block in the synthesis of various organic compounds due to its reactivity and the potential for further functionalization through the hydroxyl group, contributing to the development of new materials and chemicals.
Used in Chemical Processes:
9-TRIFLUOROMETHYL-9H-FLUOREN-9-OL is utilized in various chemical processes for its ability to interact with other chemicals, facilitating the formation of new compounds and improving the efficiency of reactions in the chemical industry.

InChI:InChI=1/C14H9F3O/c15-14(16,17)13(18)11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,18H

Upstream product

• 486-25-9 9-fluorenone 
• 2314-97-8 iodotrifluoromethane 
• 2803-00-1 N-trifluoroacetyl,N-benzyl piperazine 
• 434-45-7 2,2,2-Trifluoroacetophenone 
• 2708-87-4 diethoxytrifluoromethylphosphonate 
• 1400691-55-5 C₉H₁₆N₂*C₃H₂F₆O₂ 
• 302912-29-4 1-([1,1'-biphenyl]-2-yl)-2,2,2-trifluoroethan-1-one 
• 431-47-0 trifluoroacetic acid-methyl ester 
• 345959-36-6 1-(4-benzylpiperazin-1-yl)-2, 2, 2-trifluoroethanol 
• 75-63-8 Bromotrifluoromethane 
• 75-46-7 trifluoromethan 

Downstream Products

• 159592-64-0 9-(Trifluoromethyl)fluorenyl tosylate 

Relevant articles and documents

Trifluoroacetophenone as nucleophilic trifluoromethylating reagent

Trifluoroacetophenone can be used as nucleophilic trifluoromethylating reagent towards non-enolizable ketones by action of potassium tert-butoxide.

Trifluoroacetic acid derivatives as nucleophilic trifluoromethylating reagents

Secondary trifluoroacetamides and alkyl trifluoroacetates can be used as nucleophilic trifluoromethylating reagents towards non-enolizable ketones by action of potassium tert-butoxide.

Method for synthesizing 9-hydroxy -9-trifluoromethyl fluorene compounds

The method 9 - takes the substituted,phenyl trifluoroacetophenone compound shown in the formula (I) as a raw material 2 - in an organic solvent, at, under the action of a Lewis acid to obtain, hydroxyl - 9 trifluoromethylfluorene compound 25 °C -50 °C shown in formula 2-12 under the action of a Lewis acid . The reaction mixture, has the advantages of simple and easily, available raw materials (II) reaction, conditions, simple operation 9 - substrate universality. and the like under the action of a Lewis acid through, a post-treatment process. under the action of a Lewis acid.

Gas/Liquid-Phase Micro-Flow Trifluoromethylation using Fluoroform: Trifluoromethylation of Aldehydes, Ketones, Chalcones, and N-Sulfinylimines

A micro-flow nucleophilic trifluoromethylation of carbonyl compounds using gaseous fluoroform was developed. This method also allows the first micro-flow transformation of N-sulfinylimines into trifluoromethyl amines with excellent diastereoselectivity. To demonstrate the synthetic utility of this micro-flow synthesis, the formal micro-flow synthesis of Efavirenz is described.

METHOD FOR PRODUCING TRIFLUOROMETHYL GROUP-CONTAINING ALCOHOLS

PROBLEM TO BE SOLVED: To provide a method for producing trifluoromethyl group-containing alcohols useful as synthetic intermediates for medicines and agrochemicals. SOLUTION: This invention relates to a method for producing trifluoromethyl group-containing alcohols expressed by a formula (2), comprising: making carbonyl compounds expressed by a formula (1) react with trifluoromethane in an organic solvent in the presence of polyvalent ethers and potassium tert-butoxide, or kalium hexamethyldisilazide. (R1 and R2 are each independently a phenyl group etc.; R2 may combine with R1, to form a ring, and both R1 and R2 are not hydrogen atoms). SELECTED DRAWING: None COPYRIGHT: (C)2018,JPOandINPIT

METHOD FOR PRODUCING TRIFLUOROMETHYL GROUP-CONTAINING ALCOHOLS

PROBLEM TO BE SOLVED: To provide a method for producing CF3 group-containing alcohols useful as production intermediates for medicines and agrochemicals. SOLUTION: The method for producing CF3 group-containing alcohols represented by formula (2) comprises

Organocatalyzed Trifluoromethylation of Ketones and Sulfonyl Fluorides by Fluoroform under a Superbase System

Fluoroform (HCF3, HFC-23) is a side product in the manufacture of polytetrafluoroethylene (Teflon). Despite its attractive properties, taming HCF3 for trifluoromethylation is quite problematic owing to its low acidity and the labilit

Amidinate salt of hexafluoroacetone hydrate for the preparation of fluorinated compounds by the release of trifluoroacetate

A powerful, new reagent, an amidinate salt of hexafluoroacetone hydrate, is an air-stable salt that can be used for the preparation of fluorinated organic molecules. Nucleophilic trifluoromethylation reactions are demonstrated following the base-promoted release of trifluoroacetate. This reagent is soluble in many polar organic solvents and produces fluoroform, following the release of trifluoroacetate. Reactions with this reagent and common electrophiles provide excellent yields of trifluoromethylated products.

Direct observation of a doubly destabilized cation

The 9-fluorenyl cation is a member of the 4N Hueckel antiaromatic series of intermediates, first observed by time-resolved spectroscopy on UV photo-excitation of 9-fluorenol.[1] 9-Trifluoromethyl-9-fluorenol incorporating an electron-withdrawing substituent was subjected to preparative and laser flash photolysis. Photoproduct studies in methanol indicated products derived from the corresponding fluorenyl cation and radical intermediates. Time-resolved spectroscopy in hexafluoroisopropanol (HFIP) showed a transient which was assigned to the corresponding cation as evident from methanol quenching. The lifetimes and methanol quenching rates of this transient was compared with that of 9- methylfluorenyl cation. The kinetic stabilities of these ions were compared to thermodynamic parameters obtained from theoretical calculations. ARKAT-USA, Inc.

COMPOSITIONS AND PROCESSES OF PREPARING AND USING THE SAME

The present invention relates to compositions, for example, the DBU/Hexafluoroacetone hydrate salt, and processes of preparing and using the same for the modification of chemical compounds via the release of trifluoroacetate. The DBU/Hexafluoroacetone hydrate salt can perform trifluoromethylation reactions on chemical compounds, such as carbonyl group-containing compounds.