30071-93-3

Basic information

• Product Name: 3',5'-Bis(trifluoromethyl)acetophenone
• Synonyms: 3',5'-Bis(trifluoromethyl)acetophenone 98%;3,5-BIS(TRIFLUOROMETHYL);TRIFLUOROMETHYL ACETOPHENONE;3,5-Di(trifluoromethyl)hypnone;3',5'-Bis(trifluorom;3,5-(CF3)2-acetophenone;3, 5 - two-trifluoroMethyl;1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-one, 5-Acetyl-alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-m-xylene
• CAS NO: 30071-93-3
• Molecular Formula: C₁₀H₆F₆O
• Molecular Weight: 256.14
• EINECS: 250-023-7
• Product Categories: Fluorides;Trifluoromethylbenzene serise;Boronic Acid series;PHARMACEUTICAL INTERMEDIATES;Aromatic Acetophenones & Derivatives (substituted);ketone;Miscellaneous;C10;Carbonyl Compounds;Ketones;Building Blocks;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks;Indolines ,Indoles
• Mol File: 30071-93-3.mol
• Article Data: 21

Chemical Properties

• Boiling Point: 95-98 °C (15 mmHg)
• Flash Point: 180 °F
• Appearance: clear pale yellow liquid
• Density: 1.422 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.836mmHg at 25°C
• Refractive Index: n20/D 1.4221(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• BRN: 2384789
• CAS DataBase Reference: 3',5'-Bis(trifluoromethyl)acetophenone(CAS DataBase Reference)
• NIST Chemistry Reference: 3',5'-Bis(trifluoromethyl)acetophenone(30071-93-3)
• EPA Substance Registry System: 3',5'-Bis(trifluoromethyl)acetophenone(30071-93-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37/39-36
• RIDADR: 3439
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 30071-93-3(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 30071-93-3 differently. You can refer to the following data:
1. 3',5'-Bis(Trifluoromethyl)acetophenone is a reactant that has been used in the preparation of pyrazole carboxamide derivatives with antibacterial and antifungal activity.
2. 3'',5''-Bis(Trifluoromethyl)acetophenone is a reactant that has been used in the preparation of pyrazole carboxamide derivatives with antibacterial and antifungal activity.

Chemical Properties

CLEAR PALE YELLOW LIQUID

InChI:InChI=1/C7H11F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h5-6,11H,1-4H2

Upstream product

• 68120-60-5 1-(3,5-bis(trifluoromethyl)phenyl)ethan-1-ol 
• 328-70-1 3,6-bis(trifluoromethyl)bromobenzene 
• 401-96-7 3,5-bis(trifluoromethyl)benzoyl fluoride 
• 594-27-4 tetramethylstannane 
• 78191-00-1 N-Methoxy-N-methylacetamide 
• 349-59-7 3,5-bis(trifluoromethyl)styrene 
• 75-36-5 acetyl chloride 
• 725-89-3 3,5-bistrifluoromethylbenzoic acid 
• 917-54-4 methyllithium 
• 108-24-7 acetic anhydride 
• 112981-69-8 3,5-bis(trifluoromethyl)phenylmagnesium bromide 
• 402-31-3 1,3-bis(trifluoromethyl)benzene 
• 785-56-8 3,5-bis(trifluoromethyl)phenyl carboxylic acid chloride 
• 5780-37-0 (E)-acetaldoxime 

Downstream Products

• 960591-82-6 1-(3,5-bis(trifluoromethyl)phenyl)-2-(2,6-dimethylphenyl)ethanone 
• 1227953-47-0 ethyl 6-(3,5-bis(trifluoromethyl)phenyl)-1-phenyl-1H-pyrazolo[3,4-b]pyridine-3-carboxylate 
• 472976-18-4 N-acetyl-1-[3,5-bis(trifluoromethyl)phenyl]vinylamine 
• 149774-13-0 1-(3,5-bis(trifluoromethyl)phenyl)ethanone oxime 
• 1310321-04-0 N-acetyl-1-methyl-1-[3,5-bis(trifluoromethyl)phenyl]allylamine 
• 1294503-01-7 9-(4-chlorophenyl)-2-(3,5-di(trifluoromethyl)phenyl)-7-phenyl-7H-pyrazolo[3,4-h][1,6]naphthyridine 
• 1294503-13-1 9-(4-bromophenyl)-2-(3,5-di(trifluoromethyl)phenyl)-7-phenyl-7H-pyrazolo[3,4-h][1,6]naphthyridine 
• 392655-32-2 C₁₈H₁₅F₆N 
• 284665-40-3 4-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazole-2-amine 
• 1076229-83-8 N-{1-[3,5-bis(trifluoromethyl)phenyl]ethyl}cyclopropanamine monohydrochloride 
• 39031-52-2 3,5-bis-trifluoromethylphenyl-oxoacetaldehyde 
• 368-63-8 (R)-[3,5-bis(trifluoromethyl)phenyl]ethanol 
• 131805-94-2 2-bromo-1-[3,5-di(trifluoromethyl)phenyl]ethan-1-one 
• 67570-38-1 α,α-dimethyl-3,5-bis(trifluoromethyl)benzenemethanol 

Relevant articles and documents

An improved preparation of 3,5-bis(trifluoromethyl)acetophenone and safety considerations in the preparation of 3,5-bis(trifluoromethyl)phenyl Grignard reagent

An improved and efficient bromination of 3,5-bis(trifluoromethyl)benzene was developed. A safe and reliable preparation of the potentially explosive 3,5-bis(trifluoromethyl)phenyl Grignard and 3-trifluoromethylphenyl Grignard reagents, from the precursor bromides, is described. Reaction System Screening Tool (RSST) and Differential Thermal Analysis (DTA) studies suggest these trifluoromethylphenyl Grignard reagents can detonate on loss of solvent contact or upon moderate heating. When prepared and handled according to the methods described herein, these Grignard reagents can be safely prepared and carried on to advanced intermediates.

Preparation method of 3, 5-bis (trifluoromethyl) acetophenone

The invention provides a preparation method of 3, 5-bis (trifluoromethyl) acetophenone. 3, 5-bis (trifluoromethyl) acetophenone is synthesized by using 3, 5-bis (trifluoromethyl) bromobenzene as a rawmaterial. The preparation method comprises the following steps: under a reaction temperature, selectively mixing either N-methoxy-N-methylacetamide or N-methoxy-N-methylformamide with 3, 5-bis (trifluoromethyl) bromobenzene and n-butyl lithium, and carrying out a stirring reaction under a reaction solvent condition at a reaction temperature of -70 to -90 DEG C; and executing a post-processing step, namely, heating to room temperature, extraction and washing, drying and evaporating to remove the residual solvent, and performing column chromatography separation to obtain 3, 5-bis (trifluoromethyl) acetophenone. According to the invention, cheap 3, 5-bis (trifluoromethyl) bromobenzene as a raw material directly reacts with N-methoxy-N-methylacetamide to obtain the high-yield 3, 5-bis (trifluoromethyl) acetophenone, the method is simple in reaction steps, easy to control and suitable for industrial production, so that a more valuable synthesis route is provided for preparation of aprepitant, good social benefits and economic benefits can be brought, and the economic value potential is relatively large.

Conversion of Olefins into Ketones by an Iron-Catalyzed Wacker-type Oxidation Using Oxygen as the Sole Oxidant

We describe a mild and operationally simple procedure for the oxidation of olefins into ketones. The reaction is catalyzed by the hexadecafluorinated iron–phthalocyanine complex FePcF16 with stoichiometric amounts of triethylsilane as an additive under oxygen atmosphere to give ketones in good to high yields with excellent chemoselectivity and functional group tolerance. Ketone formation proceeds in up to 95 % yield and with 100 % regioselectivity while the corresponding alcohols were observed as side products.