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4,4,4-Trifluoro-1-phenylbutan-1-one, a chemical compound with the molecular formula C10H9F3O, is a clear, colorless liquid known for its strong fruity odor. It serves as a versatile intermediate in the synthesis of pharmaceuticals, agrochemicals, and flavor and fragrance compounds.

713-02-0

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713-02-0 Usage

Uses

Used in Pharmaceutical Industry:
4,4,4-Trifluoro-1-phenylbutan-1-one is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique chemical structure allows for the development of new drugs with improved efficacy and safety profiles.
Used in Agrochemical Industry:
In the agrochemical industry, 4,4,4-Trifluoro-1-phenylbutan-1-one is utilized as an intermediate for the production of pesticides and other agrochemicals. Its properties contribute to the development of more effective and environmentally friendly products.
Used in Flavoring and Perfumery Industries:
4,4,4-Trifluoro-1-phenylbutan-1-one is used as a flavoring agent for its strong fruity odor, adding unique taste and aroma profiles to food and beverage products. It is also employed in the perfumery industry to create distinctive and long-lasting fragrances.
Used as a Solvent in Industrial Processes:
Due to its solvent properties, 4,4,4-Trifluoro-1-phenylbutan-1-one is used in various industrial processes. Its ability to dissolve a wide range of substances makes it a valuable component in the manufacturing of coatings, adhesives, and other chemical products.

Check Digit Verification of cas no

The CAS Registry Mumber 713-02-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,1 and 3 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 713-02:
(5*7)+(4*1)+(3*3)+(2*0)+(1*2)=50
50 % 10 = 0
So 713-02-0 is a valid CAS Registry Number.

713-02-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4,4,4-trifluoro-1-phenylbutan-1-one

1.2 Other means of identification

Product number -
Other names 4,4,4-Trifluor-1-phenylbutan-1-on

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:713-02-0 SDS

713-02-0Relevant academic research and scientific papers

Visible-light-induced regio- And stereoselective C(sp2)-H trifluoroethylation of enamides with 2,2,2-trifluoroethyl iodide

Zhao, Kai,Zhang, Ze-Yu,Cui, Xian-Lu,Wang, Ying-Xue,Wu, Xian-Dan,Li, Wei-Ming,Wu, Jia-Xu,Zhao, Li-Li,Guo, Jing-Yu,Loh, Teck-Peng

, p. 9029 - 9035 (2020)

A photoredox-catalyzed regio- and stereoselective trifluoroethylation reaction of enamides using commercially available 2,2,2-trifluoroethyl iodide as trifluoroethylating agents has been developed, furnishing geometrically defined and synthetically and physiochemically pivotal β-trifluoroethylated enamides bearing a diverse range of functional groups.

Unexpected rearrangements and a novel synthesis of 1,1-dichloro-1-alkenones from 1,1,1-trifluoroalkanones with aluminium trichloride

Lansbergen, Beatrice,Meister, Catherine S.,McLeod, Michael C.

supporting information, p. 404 - 409 (2021/03/20)

A novel reactivity of 1,1,1-trifluoroalkanones is reported, where the reaction with AlCl3 results in the formation of 1,1-dichloro-1-alkenones. The reaction scope was found to be broad, with various chain lengths and aryl substituents tolerated. For substrates containing an electron-rich aromatic ring, further reactions take place, resulting in bicyclic and/or rearrangement products.

Oxidation of 4-Aryl-1,1,1-trifluorobut-2-en-2-yl Trifluoro?-methanesulfonates by 4-Picoline-N-Oxide: A Novel Approach to β-Trifluoromethyl-α,β-enones

Li, Dong,Lv, Shujun,Qu, Jingping,Zhou, Yuhan

, p. 1203 - 1210 (2020/04/15)

An efficient approach to β-trifluoromethyl-α,β-enones via oxidation of 4-aryl-1,1,1-trifluorobut-2-en-2-yl trifluoromethanesulfonates is described. The reaction proceeds smoothly under mild and metal?-free conditions and tolerates a wide range of functional groups. Various β-trifluoromethyl-α,β-enones were obtained in moderate to good yields.

A Novel Ketonitrile Synthesis by Palladium-Catalyzed Carbonylative Coupling Reactions of Amides with Arylboronic Acids

Mai, Wen-Peng,Liu, Yang,Sui, Hong-Dai,Xiao, Yong-Mei,Mao, Pu,Lu, Kui

supporting information, p. 7814 - 7819 (2019/12/24)

A novel, efficient, and simple procedure to synthesize diverse ketonitriles by palladium-catalyzed Suzuki coupling of amides through N–C cleavage has been developed. This procedure features mild conditions, a broad substrate scope, and easily prepared substrates, providing a simple and efficient access to a variety of ketonitriles.

Efficient AcrH2 Catalyzed β-Trifluoromethylation of Carbonyl Compounds by Atom Transfer Radical Addition Reactions

Rao, Zi-Peng,Sun, Yu-Yang,Zhou, Xin-Feng,Xie, Qiang,Zhu, Hui-Xia,Dai, Jian-Jun,Xu, Jun,Xu, Hua-Jian

, p. 1025 - 1030 (2019/08/30)

The use of organic catalysis AcrH2 enables the direct β-trifluoromethylation of carbonyl compounds by atom transfer radical addition reactions with broad substrate scopes under mild conditions. This operationally simple and robust protocol successfully converts a variety of β-chloro carbonyl compounds into the corresponding α-chloro-β-fluoroalkylcarbonyl products. A significant advantage of this method is that it does not require the use of a metal catalyst, thereby avoiding metal residue problems in drug synthesis.

Base-Promoted Double-Bond-Migration/Hydrolysis/Isomerization of 4-Aryl-1,1,1-trifluorobut-2-en-2-yl Trifluoromethanesulfonates: A Metal-Free Approach to β-Trifluoromethyl Ketones

Zhou, Yuhan,Zhang, Chunxia,Zhao, Yilong,Li, Dong,Zhao, Jinfeng,Wang, Zhaotian,Qu, Jingping

, p. 6217 - 6222 (2018/11/23)

A method for the synthesis of β-trifluoromethyl ketones promoted by a base is described. In the presence of DBU, 1-aryl-4,4,4-trifluoromethylbutanones with various functional groups were obtained through the reaction of 4-aryl-1,1,1-trifluorobut-2-en-2-yl

Preparation method of 1-aryl-4,4,4-trifluoro-1-butanone compound

-

Paragraph 0045-0047; 0093-0128, (2018/11/10)

The invention relates to a preparation method of a 1-aryl-4,4,4-trifluoro-1-butanone compound and belongs to the field of compound preparation. The preparation method is characterized by comprising the following steps of by taking trifluoromethyl-substituted enol sulfonate as a compound shown in a general formula II as a raw material, synthesizing 1-aryl-4,4,4-trifluoro-1-butanone as a compound shown in a general formula I: the formula l is shown in the description. The method provided by the invention provides a method which is convenient and is low in cost for synthesis of the 1-aryl-4,4,4-trifluoro-1-butanone compound and avoids using an expensive metal catalyst reagent.

Synthesis of β-CF 3 Ketones through Copper/Silver Cocatalyzed Oxidative Coupling of Enol Acetates with ICH 2 CF 3

Xiong, Yi,Chen, De,Zeng, Sheng,Cheng, Chaozhihui,Wang, Pengjie,Deng, Wei,Xiang, Jiannan,Yi, Niannian

supporting information, p. 2279 - 2282 (2018/10/20)

A simple method for the synthesis of β-CF 3 ketones through copper/silver cocatalyzed oxidative coupling of enol acetates with ICH 2 CF 3 has been developed. Enol acetates were chosen as the source of carbonyl group, giving the β-CF 3 ketones in moderate yields. Control experiments imply that a radical process maybe involved in this reaction.

THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF

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Page/Page column 340; 341, (2017/08/01)

The invention provides a compound of formula: or a salt thereof, wherein the variables RAA, n, ring A, ring B, R1a, R1b, R2, R3, R4, R5, R6, R7, R8, and R9 have the meaning as described herein, and compositions containing such compounds and methods for using such compounds and compositions.

Silver-Catalyzed Decarboxylative Trifluoromethylation of Aliphatic Carboxylic Acids

Tan, Xinqiang,Liu, Zhonglin,Shen, Haigen,Zhang, Pei,Zhang, Zhenzhen,Li, Chaozhong

supporting information, p. 12430 - 12433 (2017/09/25)

The silver-catalyzed decarboxylative trifluoromethylation of aliphatic carboxylic acids is described. With AgNO3 as the catalyst and K2S2O8 as the oxidant, the reactions of aliphatic carboxylic acids with (bpy)C

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