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9-Azido-α-trifluorotoluene solution is a chemical compound characterized by the presence of an azide group (N3) attached to a trifluoromethylated toluene molecule. This solution is a colorless liquid and is often used as a reagent in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals. The azide group is known for its reactivity, which can be exploited in various chemical transformations, such as click chemistry, where it undergoes copper-catalyzed Huisgen cycloaddition with alkynes to form triazoles. The trifluoromethyl group (CF3) enhances the lipophilicity and metabolic stability of the molecule, making it a valuable building block in the development of new compounds with improved biological properties. Handling of 9-azido-α-trifluorotoluene solution requires caution due to its potential reactivity and the need for appropriate safety measures.

5586-13-0

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5586-13-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5586-13-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,5,8 and 6 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 5586-13:
(6*5)+(5*5)+(4*8)+(3*6)+(2*1)+(1*3)=110
110 % 10 = 0
So 5586-13-0 is a valid CAS Registry Number.

5586-13-0 Well-known Company Product Price

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  • Aldrich

  • (779199)  1-Azido-4-(trifluoromethyl)benzene solution  ~0.5 M in tert-butyl methyl ether, ≥95.0% (HPLC)

  • 5586-13-0

  • 779199-10ML

  • 1,207.44CNY

  • Detail
  • Aldrich

  • (779199)  1-Azido-4-(trifluoromethyl)benzene solution  ~0.5 M in tert-butyl methyl ether, ≥95.0% (HPLC)

  • 5586-13-0

  • 779199-50ML

  • 4,832.10CNY

  • Detail

5586-13-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-azido-4-(trifluoromethyl)benzene

1.2 Other means of identification

Product number -
Other names para-trifluoromethylphenylazide

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:5586-13-0 SDS

5586-13-0Relevant academic research and scientific papers

Synthesis and antitumor activity of 1-substituted 1,2,3-triazole-mollugin derivatives

Hu, Jiang-Miao,Li, Hong-Mei,Liu, Shou-Jin,Luo, Han,Lv, Yong-Feng,Zhang, Hong

, (2021/06/11)

A new series of mollugin-1,2,3-triazole derivatives were synthesized using a copper(I)-catalyzed Huisgen 1,3-dipolar cycloaddition reaction of corresponding O-propargylated mollugin with aryl azides. All the compounds were evaluated for their cytotoxicity on five human cancer cell lines (HL-60, A549, SMMC-7721, SW480, and MCF-7) using MTS assays. Among the synthesized series, most of them showed cytotoxicity and most of all, compounds 14 and 17 exhibited significant cytotoxicity of all five cancer cell lines.

Discovery of new tranylcypromine derivatives as highly potent LSD1 inhibitors

Huang, Ming-Jie,Guo, Jia-Wen,Fu, Yun-Dong,You, Ya-Zhen,Xu, Wen-Yu,Song, Ting-Yu,Li, Ran,Chen, Zi-Tong,Huang, Li-Hua,Liu, Hong-Min

supporting information, (2021/04/12)

Tranylcypromine (TCP)-based structural modifications lead to the discovery of new LSD1 inhibitors, of which compounds 26b and 29b effectively inhibit LSD1 with the IC50 values of 17 and 11 nM, respectively and also show good selectivity over MAO-B. Mechanistic studies showed that compound 29b concentration-dependently induced H3K4me1/2 accumulation in LSD1 overexpressed MGC-803 cells and also inhibited metastasis of MGC-803 cells. Collectively, both compounds could be promising lead compounds for further investigation.

A general procedure for carbon isotope labeling of linear urea derivatives with carbon dioxide

Babin, Victor,Sallustrau, Antoine,Loreau, Olivier,Caillé, Fabien,Goudet, Amélie,Cahuzac, Hélo?se,Del Vecchio, Antonio,Taran, Frédéric,Audisio, Davide

supporting information, p. 6680 - 6683 (2021/07/12)

Carbon isotope labeling is a traceless technology, which allows tracking the fate of organic compounds either in the environment or in living organisms. This article reports on a general approach to label urea derivatives with all carbon isotopes, including14C and11C, based on a Staudinger aza-Wittig sequence. It provides access to all aliphatic/aromatic urea combinations.

Molecular docking studies on COVID-19 and antibacterial evaluation of newly synthesized 4-(methoxymethyl)-1,2,3-triazolean analogues derived from (E)-1-phenyl-3-(2-(piperidin-1-yl)quinolin-3-yl) prop-2-en-1-one

Jalapathi, P.,Nagamani, M.,Srinivas, M.,Vishnu, T.

, (2021/08/18)

A series of novel quinolone-based 4-(methoxymethyl)-1,2,3-triazole derivatives were synthesized, and their structures were characterized by 1H, 13C NMR and mass spectroscopy. The compounds (IXa-l) were screened in vitro antibacterial

Synthesis of new derivatives of alepterolic acid via click chemistry

Aisa, Haji Akber,Cao, Jianguo,Guo, Hongmei,Huang, Guozheng,Jin, Xin,Wang, Qi,Zhao, Qingjie

, p. 917 - 925 (2021/11/16)

Alepterolic acid is a natural diterpenoid isolated from Aleuritopteris argentea (S. G. Gmél.) Fée, a fern with potential medicinal activity, used in China as a folk medicine to regulate menstruation and prevent cancer. Nevertheless, there are few reports

Discovery of a Series of Theophylline Derivatives Containing 1,2,3-Triazole for Treatment of Non-Small Cell Lung Cancer

Li, Qingjiao,Liu, Yulin,Mao, Longfei,Peng, Lizeng,Xie, Luoyijun,Yang, Jianxue,Ye, Jiahui,Yuan, Miaomiao,Zhang, Rongjun

, (2021/11/16)

Chemotherapy is the most common clinical treatment for non-small cell lung cancer (NSCLC), but low efficiency and high toxicity of current chemotherapy drugs limit their clinical application. Therefore, it is urgent to develop hypotoxic and efficient chemotherapy drugs. Theophylline, a natural compound, is safe and easy to get, and it can be used as a modified scaffold structure and hold huge potential for developing safe and efficient antitumor drugs. Herein, we linked theophylline with different azide compounds to synthesize a new type of 1,2,3-triazole ring-containing theophylline derivatives. We found that some theophylline1,2,3-triazole compounds showed a good tumor-suppressive efficacy. Especially, derivative d17 showed strong antiproliferative activity against a variety of cancer cells in vitro, including H460, A549, A2780, LOVO, MB-231, MCF-7, OVCAR3, SW480, and PC-9. It is worth noting that the two NSCLC cell lines H460 H and A549 are sensitive to compound d17 particularly, with IC50 of 5.929 ± 0.97?μM and 6.76 ± 0.25?μM, respectively. Compound d17 can significantly induce cell apoptosis by increasing the ratio of apoptotic protein Bax/Bcl-2 by downregulating the expression of phosphorylated Akt protein, and it has little toxicity to normal hepatocyte cells LO2 at therapeutic concentrations. These data indicate that these theophylline acetic acid-1,2,3-triazole derivatives may be potential drug candidates for anti-NSCLC and are worthy of further study.

Synthesis and Evaluation of Bakuchiol Derivatives as Potent Anti-inflammatory Agents in Vitro and in Vivo

Bai, Chunmei,Bian, Ming,Du, Huan-Huan,Gong, Guohua,Liu, Chunyan,Ma, Qianqian,Quan, Zhe-Shan,Wei, Chengxi

supporting information, (2022/01/27)

Bakuchiol, a prenylated phenolic monoterpene derived from the fruit of Psoralen corylifolia L. (Buguzhi), is widely used to treat tumors, viruses, inflammation, and bacterial infections. In this study, we designed and synthesized 30 bakuchiol derivatives

Heterogeneous photocatalysis of azides: Extending nitrene photochemistry to longer wavelengths

Argüello, Juan E.,Lanterna, Anabel E.,Lemir, Ignacio D.,Scaiano, Juan C.

supporting information, p. 10239 - 10242 (2020/10/02)

The photodecomposition of azides to generate nitrenes usually requires wavelengths in the 300 nm region. In this study, we show that this reaction can be readily performed in the UVA region (368 nm) when catalyzed by Pd-decorated TiO2. In aqueous medium the reaction leads to amines, with water acting as the H source; however, in non-protic and non-nucleophilic media, such as acetonitrile, nitrenes recombine to yield azo compounds, while azirine-mediated trapping occurs in the presence of nucleophiles. The heterogeneous process facilitates catalyst separation while showing great chemoselectivity and high yields.

Metal-Free 1,2,3-Triazole Synthesis in Deep Eutectic Solvents

Díez-González, Silvia,Haselgrove, Samuel,Sebest, Filip,White, Andrew J. P.

, p. 605 - 609 (2020/04/08)

The metal-free regioselective preparation of 1,5- and 1,4-disubstituted triazoles is reported through a cycloaddition-elimination sequence. Reactions were carried out in environmentally friendly deep eutectic solvent (DES) and pure products were isolated

Click-tambjamines as efficient and tunable bioactive anion transporters

Alonso-Carrillo, Daniel,Caci, Emanuela,Capurro, Valeria,Carreira-Barral, Israel,Mielczarek, Marcin,Quesada, Roberto,Soto-Cerrato, Vanessa,García-Valverde, María,Pérez Tomás, Ricardo

supporting information, p. 3218 - 3221 (2020/03/23)

A novel class of transmembrane anion carriers, the click-tambjamines, display remarkable anionophoric activities in model liposomes and living cells. The versatility of this building block for the generation of molecular diversity offers promise to develo

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