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1,3-bis[3-(trifluoromethyl)phenyl]urea is an organic compound with the molecular formula C15H10F6N2O. It is a white crystalline solid that is known for its potential applications in various chemical and pharmaceutical industries. 1,3-bis[3-(trifluoromethyl)phenyl]urea is characterized by its two phenyl rings, each substituted with a trifluoromethyl group at the 3-position, and connected by a urea bridge. The presence of trifluoromethyl groups imparts unique properties to the molecule, such as increased lipophilicity and metabolic stability, which can be beneficial in drug design. The compound is synthesized through the reaction of 3-(trifluoromethyl)phenyl isocyanate with 1,3-diaminopropane, and it is often used as a building block in the synthesis of more complex molecules. Due to its structural features, 1,3-bis[3-(trifluoromethyl)phenyl]urea can serve as a precursor for the development of new pharmaceuticals or as a reagent in organic synthesis.

403-96-3

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403-96-3 Usage

Physical state

White crystalline compound

Chemical class

Urea

Molecular weight

358.24 g/mol

Uses

Pesticide and herbicide

Function

Prevents growth of unwanted plants and pests

Water solubility

High

Environmental stability

Stable under various conditions

Mammalian toxicity

Low, making it relatively safe for agricultural use

Safety precautions

Handle with care, avoid ingestion and inhalation

Check Digit Verification of cas no

The CAS Registry Mumber 403-96-3 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,0 and 3 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 403-96:
(5*4)+(4*0)+(3*3)+(2*9)+(1*6)=53
53 % 10 = 3
So 403-96-3 is a valid CAS Registry Number.

403-96-3SDS

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 1,3-bis[3-(trifluoromethyl)phenyl]urea

1.2 Other means of identification

Product number -
Other names 1,3-BIS(3-TRIFLUOROMETHYLPHENYL)UREA

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:403-96-3 SDS

403-96-3Relevant academic research and scientific papers

Urea-Catalyzed Vinyl Carbocation Formation Enables Mild Functionalization of Unactivated C-H Bonds

Bagdasarian, Alex L.,Popov, Stasik,Wigman, Benjamin,Wei, Wenjing,Lee, Woojin,Nelson, Hosea M.

supporting information, p. 7775 - 7779 (2020/07/15)

Herein we report the 3,5-bistrifluoromethylphenyl urea-catalyzed functionalization of unactivated C-H bonds. In this system, the urea catalyst mediates the formation of high-energy vinyl carbocations that undergo facile C-H insertion and Friedel-Crafts re

Synthesis of Urea Derivatives from CO2 and Silylamines

Xu, Maotong,Jupp, Andrew R.,Ong, Maegan S. E.,Burton, Katherine I.,Chitnis, Saurabh S.,Stephan, Douglas W.

supporting information, p. 5707 - 5711 (2019/04/16)

A series of thirty-three N,N′-diaryl, dialkyl, and alkyl-aryl ureas have been prepared in pyridine or toluene by reaction of silylamines with CO2. This protocol is shown to provide facile access to 13C-labeled ureas, as well as chiral and macrocyclic ureas. These reactions proceed through initial generation of the corresponding silylcarbamates, which subsequently react with silylamine under thermal conditions to afford the thermodynamically favored urea and disilyl ether.

Stoichiometric Reactions of CO2 and Indium-Silylamides and Catalytic Synthesis of Ureas

Xu, Maotong,Jupp, Andrew R.,Stephan, Douglas W.

, p. 14277 - 14281 (2017/10/31)

The indium compounds In(N(SiMe3)2)2Cl?THF (2) and In(N(SiMe3)2)Cl2?(THF)n (3) were shown to react with CO2 to give [(Me3Si)2N)InX(μ-OSiMe3)]2 (X=N(SiMe3)2 4, Cl 5). 0.05–2.0 mol % of the species 3 acts as a pre-catalyst for the conversion of aryl and alkyl silylamines under CO2 (2–3 atm) to give the corresponding ureas in 70–99 % yields. A proposed mechanism is supported by experimental and computational data.

An efficient one-pot synthesis of: N, N ′-disubstituted ureas and carbamates from N -acylbenzotriazoles

Singh, Anoop S.,Kumar, Dhananjay,Mishra, Nidhi,Tiwari, Vinod K.

, p. 84512 - 84522 (2016/10/12)

A facile and high-yielding one-pot synthesis of carbamates and N,N′-disubstituted symmetrical ureas from N-acylbenzotriazoles has been devised. It is believed that, the intermediate acyl-azide undergo Curtius rearrangement and in different solvents gives different products i.e. carbamates in alcohols and N,N′-disubstituted symmetrical urea in THF.

Palladium-catalyzed synthesis of symmetrical urea derivatives by oxidative carbonylation of primary amines in carbon dioxide medium

Ca', Nicola Della,Bottarelli, Paolo,Dibenedetto, Angela,Aresta, Michele,Gabriele, Bartolo,Salerno, Giuseppe,Costa, Mirco

experimental part, p. 120 - 127 (2011/09/16)

An efficient palladium-catalyzed synthesis of symmetrically disubstituted ureas via oxidative carbonylation of primary amines is described. The reactions are carried out in the presence of a large excess of carbon dioxide as reaction medium or under solvent-free conditions. The adopted catalyst such as potassium tetraiodopalladate, stable and easy to prepare, allows the use of air as a cheap oxidizing agent. The reactions yield urea and water as the only by-product and proceed with high efficiency with aliphatic and aromatic amines as well. While with primary aliphatic amines, no significant improvement on reactivity is observed when carbon dioxide is used as a solvent, in comparison with the conventional ones, a remarkable high efficiency is obtained with aromatic amines, which shows a dramatic increase in the performance of the catalyst, in terms of turnover number (TON), the highest known so far for this kind of process. Reactions take place in two-phase systems consisting of a homogeneous liquid phase formed by the CO2 expanded amine solution containing the catalyst and a supercritical phase of CO2, CO, O2, and N2.

Selenium-catalyzed carbonylation of nitroarenes to symmetrical 1,3-diarylureas under atmospheric pressure

Wang, Xiaofang,Lu, Shiwei,Yu, Zhengkun

, p. 929 - 932 (2007/10/03)

Selenium-catalyzed carbonylation of nitrobenzene and substituted nitroarenes with CO under atmospheric pressure afforded symmetrical 1,3-diarylureas in yields up to 94%. A mechanism has been proposed to demonstrate the formation of symmetrical ureas.

Copper catalyzed arylation of urea

Nandakumar, Mecheril V.

, p. 1989 - 1990 (2007/10/03)

An efficient copper catalyzed amidation of aryl iodides with urea is described. This method is milder than the palladium catalyzed arylation and avoids the use of toxic phosphine ligands.

Phosphate transport inhibitors

-

, (2008/06/13)

Disclosed are compounds which have been identified as inhibitors of phosphate transport. Many of the compounds are represented by Structural Formula (I): Ar1—W—X—Y—Ar2; or a pharmaceutically acceptable salt thereof. Ar1 and Ar2 are independently a substituted or unsubstituted aryl group or an optionally substituted five membered or six membered non-aromatic heterocylic group fused to an optionally substituted monocylic aryl group. W and Y are independently a covalent bond or a C1-C3 substituted or unsubstituted alkylene group. X is a heteroatom-containing functional group, an aromatic heterocyclic group, substituted aromatic heterocyclic group, non-aromatic heterocyclic group, substituted non-aromatic heterocyclic group, an olefin group or a substituted olefin group. Also disclosed are methods of treating a subject with a disease associated with hyperphosphatemia, as well as a disease mediated by phosphate-transport function. The methods comprise the step of administering an effective amount of the one of the compounds described above.

Some structural changes on triazolyl-benzotriazoles and triazolyl-benzimidazolones as potential potassium channel activators. III

Biagi, Giuliana,Calderone, Vincenzo,Giorgi, Irene,Livi, Oreste,Scartoni, Valerio,Baragatti, Barbara,Martinotti, Enrica

, p. 841 - 849 (2007/10/03)

This paper reports the synthesis and pharmacological evaluation of some compounds, obtained by structural modifications of 1,2,3-triazolyl-benzotriazoles and 1,2,3-triazolyl-benzimidazolones, which had shown activity as potential activators of the big-con

REACTION OF AMINES WITH N-ARYLUREAS, ALKYL N-ARYLCARBAMATES, AND SALTS OF THIOCARBAMIC ACIDS

Manov-Yuvenskii, V. I.,Kuznetsov, S. L.

, p. 1063 - 1069 (2007/10/02)

The reaction of amines with N-arylureas, alkyl N-arylcarbamates, and salts of thiocarbamic acids is studied. The regularities found are explained by the characteristic features of hydrogen bond formation.

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