70097-64-2

Basic information

• Product Name: 3-BENZYLOXYBENZOTRIFLUORIDE
• Synonyms: 3-BENZYLOXYBENZOTRIFLUORIDE;3-BENZYLOXYBENZOTRIFLUOROIDE;1-(Benzyloxy)-3-(trifluoromethyl)benzene;1-Benzyloxy-3-trifluoromethylbenzene;1-(Benzyloxy)-3-(trifluoromethyl)benzene, Benzyl 3-(trifluoromethyl)phenyl ether;3-(Benzyloxy)benzotrifluoride97%
• CAS NO: 70097-64-2
• Molecular Formula: C₁₄H₁₁F₃O
• Molecular Weight: 252.23
• Mol File: 70097-64-2.mol
• Article Data: 11

Chemical Properties

• Melting Point: 65-67°C
• Boiling Point: 299.4 °C at 760 mmHg
• Flash Point: 142.5 °C
• Appearance: /
• Density: 1.214 g/cm³
• Vapor Pressure: 0.00212mmHg at 25°C
• Refractive Index: 1.512
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3-BENZYLOXYBENZOTRIFLUORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-BENZYLOXYBENZOTRIFLUORIDE(70097-64-2)
• EPA Substance Registry System: 3-BENZYLOXYBENZOTRIFLUORIDE(70097-64-2)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 70097-64-2(Hazardous Substances Data)

Usage

General Description

3-Benzyloxybenzotrifluoride is a chemical compound with the molecular formula C14H11F3O. It is a colorless to light yellow liquid with a molecular weight of 250.23 g/mol. 3-BENZYLOXYBENZOTRIFLUORIDE is commonly used as a starting material in the synthesis of various pharmaceuticals and agrochemicals. It is also utilized as an intermediate in the production of dyes and organic pigments. 3-Benzyloxybenzotrifluoride is known for its high reactivity and stability, making it a valuable building block in organic synthesis. It is important to handle this chemical with caution, as it may cause irritation to the skin, eyes, and respiratory system upon contact or inhalation.

InChI:InChI=1/C14H11F3O/c15-14(16,17)12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-9H,10H2

Upstream product

• 156682-54-1 3-(benzyloxy)phenylboronic acid 
• 98-17-9 3-Trifluoromethylphenol 
• 100-39-0 benzyl bromide 
• 401-78-5 3-bromo-1-trifluoromethylbenzene 
• 100-51-6 benzyl alcohol 
• 107623-21-2 1-(benzyloxy)-3-iodobenzene 
• 58310-28-4 (Difluoromethyl)triphenylphosphonium bromide 
• 75-45-6 Chlorodifluoromethane 
• 1484-26-0 3-(benzyloxy)aniline 
• 887144-97-0 Togni's reagent 
• 24318-02-3 1-(benzyloxy)-3-chlorobenzene 
• 120120-26-5 (trifluoromethyl)triethylsilane 
• 401-81-0 m-trifluoromethylphenyl iodide 

Downstream Products

• 98-17-9 3-Trifluoromethylphenol 
• 678164-30-2 1-bromo-2-trifluoromethyl-4-(phenylmethoxy)-benzene 

Relevant articles and documents

Synthesis of ArCF2X and [18F]Ar-CF3via Cleavage of the Trifluoromethylsulfonyl Group

A versatile synthesis of ArCF2X and [18F]Ar-CF3 type compounds from readily available ArCF2SO2CF3 has been developed. Diverse nucleophiles, including weak nucleophiles such as halides (18F-, Cl-, Br-, and I-), RSH, and ROH, could react with ArCF2SO2CF3 efficiently to give the corresponding difluoromethylene products. The control experiments and the Hammett plot indicated that the reaction might proceed through a difluorocarbocation intermediate generated from the steric hindrance-assisted cleavage of the trifluoromethylsulfonyl group.

DBU-Promoted Trifluoromethylation of Aryl Iodides with Difluoromethyltriphenylphosphonium Bromide

DBU-promoted trifluoromethylation of aryl iodides with difluoromethyltriphenylphosphonium bromide (DFPB) in the presence of copper source is described. In this transformation, DBU not only acts as base to deprotonate the difluoromethyl group in DFPB to generate difluoromethylene phosphonium ylide Ph3P+CF2-, but also converts the difluorocarbene generated from ylide Ph3P+CF2- into trifluoromethyl anion, finally resulting in the trifluoromethylation of aryl iodides. The reactions proceeded smoothly to afford expected products in moderate to good yields.

Conversion of aromatic amino into trifluoromethyl groups through a Sandmeyer-type transformation

A novel strategy for aromatic trifluoromethylation by converting amino into trifluoromethyl groups via a Sandmeyer-type reaction is reported. The transformation involves diazotization of the aromatic amines with tert-butyl nitrite and hydrochloric acid to form aryldiazonium chlorides, followed by trifluoromethylation with trifluoromethylsilver at low temperature. Various readily available aromatic amines are smoothly converted under mild conditions. Georg Thieme Verlag Stuttgart. New York.