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4,4,4-Trifluoro-3-oxo-N-phenylbutanamide is a synthetic chemical compound characterized by the molecular formula C10H9F3NO2. It is a derivative of trifluoroacetophenone, featuring a trifluoromethyl group attached to the carbonyl carbon, a phenyl group, and a butanamide moiety. 4,4,4-trifluoro-3-oxo-N-phenylbutanamide is utilized as an intermediate in the synthesis of pharmaceuticals and agrochemicals, and its unique structure lends itself to the design of bioactive molecules in medicinal chemistry.

836-31-7

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836-31-7 Usage

Uses

Used in Pharmaceutical Industry:
4,4,4-Trifluoro-3-oxo-N-phenylbutanamide is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its trifluoromethyl group and phenyl group contribute to the development of new drugs with improved pharmacological properties, such as enhanced potency, selectivity, and bioavailability.
Used in Agrochemical Industry:
In the agrochemical sector, 4,4,4-trifluoro-3-oxo-N-phenylbutanamide serves as a precursor in the production of agrochemicals, including pesticides and herbicides. Its structural features allow for the creation of compounds with targeted biological activity against pests and weeds, contributing to more effective and environmentally friendly agricultural practices.
Used in Medicinal Chemistry Research:
4,4,4-Trifluoro-3-oxo-N-phenylbutanamide is utilized in medicinal chemistry research for the design and optimization of bioactive molecules. Its unique structural elements, such as the trifluoromethyl group and the butanamide moiety, enable the exploration of novel chemical space and the development of compounds with potential therapeutic applications.
It is crucial to handle 4,4,4-trifluoro-3-oxo-N-phenylbutanamide with care due to its potential health and environmental hazards if not properly managed. Safe laboratory practices and appropriate disposal methods should be employed to minimize risks associated with this chemical compound.

Check Digit Verification of cas no

The CAS Registry Mumber 836-31-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 8,3 and 6 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 836-31:
(5*8)+(4*3)+(3*6)+(2*3)+(1*1)=77
77 % 10 = 7
So 836-31-7 is a valid CAS Registry Number.

836-31-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 4,4,4-Trifluoro-3-oxo-N-phenylbutanamide

1.2 Other means of identification

Product number -
Other names 4,4,4-trifluoroecatoacetanilides

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:836-31-7 SDS

836-31-7Relevant academic research and scientific papers

Design, synthesis and insecticidal activities of dihydropyridine-fused neonicotinoids compounds with trifluoromethyl group

Tian, Zhongzhen,Cui, Shuxia,Dongmei, Li,Xu, Zhiping

, p. 7437 - 7447 (2015/03/04)

A series of novel neonicotinoids containing a dihydro-pyridine ring and a trifluoromethyl group were designed and synthesized by multicomponent reactions of 6-Cl-PMNI, triethoxymethane and 4,4,4-trifluoro-3-oxobutaneanilides (9) under solvent-free and cat

Discovery of 6-N,N-Bis(2,2,2-trifluoroethyl)amino-4- trifluoromethylquinolin-2(1H)-one as a novel selective androgen receptor modulator

Van Oeveren, Arjan,Motamedi, Mehrnouch,Mani, Neelakandha S.,Marschke, Keith B.,López, Francisco J.,Schrader, William T.,Negro-Vilar, Andrés,Zhi, Lin

, p. 6143 - 6146 (2007/10/03)

The androgen receptor is a member of the extended family of nuclear receptors and is widely distributed throughout the body. Androgen therapy is used to compensate for low levels of the natural hormones testosterone (T) and dihydrotestosterone and consist

An Improved Access to 4-Trifluoromethyl-2(1H)-quinolinones: The "Watering Protocol"

Marull, Marc,Lefebvre, Olivier,Schlosser, Manfred

, p. 54 - 63 (2007/10/03)

Condensation of anilines with ethyl 4,4,4-trifluoroacetoacetate (7) to afford the corresponding 4,4,4-trifluoro-3-oxobutaneanilides (10), precursors to 4-(trifluoromethyl)-2-quinolinones (11), can be favored and the competing condensation to produce the e

Chemoselectivity in the reactions between ethyl 4,4,4-trifluoro-3-oxobutanoate and anilines: Improved synthesis of 2-trifluoromethyl-4- and 4-trifluoromethyl-2-quinolinones

Berbasov, Dmitrii O.,Soloshonok, Vadim A.

, p. 2005 - 2010 (2007/10/03)

Chemoselectivity in the reactions between ethyl 4,4, 4-trifluoroacetoacetate (ethyl 4,4,4-trifluoro-3-oxobutanoate) and various anilines was systematically studied as a function of the reaction conditions used (solvent/temperature, catalyst). The results obtained allowed chemoselective (>90%) synthesis of the corresponding ethyl 3-arylamino-4,4,4-trifluorobut-2-enoates and N-aryl-4,4,4-trifluoro-3-oxobutyramides, which were cyclized to afford 2-trifluoromethyl-4-quinolinones and 4-trifluoromethyl-2-quinolinones, respectively.

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