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1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-nitrophenyl)- is a chemical compound with the molecular formula C8H5N3O4. It is a derivative of 1H-1,2,3-triazole, a five-membered heterocyclic ring containing three nitrogen atoms, and is characterized by the presence of a carboxylic acid group at the 4-position and a 4-nitrophenyl group at the 1-position. 1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-nitrophenyl)- is often used in organic synthesis and as a building block for the development of various pharmaceuticals and agrochemicals due to its unique chemical properties and reactivity. The 4-nitrophenyl group provides a strong electron-withdrawing effect, which can influence the reactivity and stability of the molecule in various chemical reactions.

4600-06-0

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4600-06-0 Usage

Derivative of triazole

The compound is based on a triazole ring, which is a five-membered ring with three nitrogen atoms and two carbon atoms.

Contains a carboxylic acid

The compound has a carboxylic acid functional group (-COOH) attached to the triazole ring, which gives it acidic properties.

Contains a nitrophenyl group

The compound also has a nitrophenyl group (-C6H4NO2) attached to the triazole ring, which is a group consisting of a phenyl ring with a nitro group (-NO2) attached.

Building block in organic synthesis

The compound is often used as an intermediate in the synthesis of more complex organic molecules.

Utilized in production of pharmaceuticals, agrochemicals, and materials science

The compound can be used to produce a variety of products, including drugs, pesticides, and other materials.

Unique structure and reactivity

The compound's structure and chemical properties make it a valuable intermediate in the synthesis of various compounds and materials.

Check Digit Verification of cas no

The CAS Registry Mumber 4600-06-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,6,0 and 0 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 4600-06:
(6*4)+(5*6)+(4*0)+(3*0)+(2*0)+(1*6)=60
60 % 10 = 0
So 4600-06-0 is a valid CAS Registry Number.

4600-06-0Relevant academic research and scientific papers

Synthesis, characterization, and biological evaluation of new derivatives targeting MbtI as antitubercular agents

Mori, Matteo,Stelitano, Giovanni,Chiarelli, Laurent R.,Cazzaniga, Giulia,Gelain, Arianna,Barlocco, Daniela,Pini, Elena,Meneghetti, Fiorella,Villa, Stefania

, p. 1 - 17 (2021/02/26)

Tuberculosis (TB) causes millions of deaths every year, ranking as one of the most dangerous infectious diseases worldwide. Because several pathogenic strains of Mycobacterium tuberculosis (Mtb) have developed resistance against most of the established anti-TB drugs, new therapeutic options are urgently needed. An attractive target for the development of new antitubercular agents is the salicylate synthase MbtI, an essential enzyme for the mycobacterial siderophore biochemical machinery, absent in human cells. A set of analogues of I and II, two of the most potent MbtI inhibitors identified to date, was synthesized, characterized, and tested to elucidate the structural requirements for achieving an efficient MbtI inhibition and a potent antitubercular activity with this class of compounds. The structure-activity relationships (SAR) here discussed evidenced the importance of the furan as part of the pharmacophore and led to the preparation of six new compounds (IV-IX), which gave us the opportunity to examine a hitherto unexplored position of the phenyl ring. Among them emerged 5-(3-cyano-5-(trifluoromethyl)phenyl)furan-2-carboxylic acid (IV), endowed with comparable inhibitory properties to the previous leads, but a better antitubercular activity, which is a key issue in MbtI inhibitor research. Therefore, compound IV offers promising prospects for future studies on the development of novel agents against mycobacterial infections.

Synthesis, and evaluation of in vitro and in vivo anticancer activity of 14-substituted oridonin analogs: A novel and potent cell cycle arrest and apoptosis inducer through the p53-MDM2 pathway

Shen, Qing-Kun,Deng, Hao,Wang, Shi-Ben,Tian, Yu-Shun,Quan, Zhen-Shan

, p. 15 - 31 (2019/04/10)

A series of novel oridonin derivatives bearing various substituents on the 14-OH position were designed and synthesised. Their antitumour activity was evaluated in vitro against three human cancer cell lines (HCT116, BEL7402, and MCF7). Most tested derivatives showed improved anti-proliferative activity compared to the lead compound oridonin and the positive control drug 5-fluorouracil (5-Fu). Among them, compound C7 (IC50 = 0.16 μM) exhibited the most potent anti-proliferative activity against HCT116 cells; it was about 43- and 155-fold more efficacious than that of oridonin (IC50 = 6.84 μM) and 5-Fu (IC50 = 24.80 μM) in HCT116 cancer cells. Interestingly, the IC50 value of compound C7 in L02 normal cells was 23.6-fold higher than that in HCT116 cells; it exhibited better selective anti-proliferative activity and specificity than oridonin and 5-Fu. Furthermore, compound C7 possibly induced cell cycle arrest and apoptosis by regulating the p53-MDM2 signalling pathway. Notably, C7 displayed more significant suppression of tumour growth than oridonin in colon tumour xenograft models where the tumour growth inhibition rate was 85.82%. Therefore, compound C7 could be a potential lead compound for the development of a novel antitumour agent.

One-Pot Synthesis of 1-Monosubstituted 1,2,3-Triazoles from Propargyl Alcohol

Han, Chunmei,Dong, Suping,Zhang, Wensheng,Chen, Zhen

supporting information, p. 673 - 677 (2018/03/10)

A one-pot synthesis of 1-monosubstituted-1,2,3-triazoles from propargyl alcohol and various aryl azides was achieved. This simple method provides concise and efficient access to various 1-monosubstituted 1,2,3-triazole derivatives through a three-step one

Synthesis and comparative study on phase transition behavior of triazole-cored liquid crystals armed with cholesterol and double or triple aromatic rings systems

Yeap, Guan-Yeow,Balamurugan, Subramanian,Srinivasan, Murugesan Vijay,Kannan, Palaninathan

supporting information, p. 1906 - 1911 (2013/10/08)

Two homologous series of optically active bent-shaped mesogens comprising a cholesterol unit as one of the side arms connected to a 1,2,3-triazole ring while the other arm of the triazole ring is connected to two- and three-ring aromatic systems with varying terminal chain lengths have been synthesized. The molecular structure, thermal and optical activities have been studied extensively in which the compounds from both series exhibit polymorphism ranging from chiral nematic (N*), chiral smectic A (SmA*), chiral smectic C (SmC*) and twist grain boundary (TGBC*) phases. A further comparison between the two series of target compounds has drawn a common remark of which the phase behavior is found to be dependent on the length of the terminal tail and number of aromatic rings in the mesogenic units.

Synthesis and mesomorphic properties of novel [1,2,3]-triazole mesogenic based compounds

Benbayer, Chahinez,Kheddam, Narimane,Sa?di-Besbes, Salima,Givenchy, Elisabeth Taffin De,Guittard, Frédéric,Grelet, Eric,Safer, Abdel Mounaim,Derdour, A?cha

, p. 22 - 28 (2013/03/13)

A series of five-membered heterocyclic 1,2,3-triazole derivatives with different substituents in N1 position was synthesized. The heterocyclic moiety was connected through an ester function to a p-decyloxyphenyl or p-decyloxybiphenyl tails Polarized micro

Arylazide additions to α- and β- aminoacrylonitriles: Synthesis of 5-amino and 4-cyano-1,2,3-triazoles. Kinetic study of the cycloaddition

Derdour, A.,Benabdallah, T.,Merah, B.,Texier, F.

, p. 69 - 78 (2007/10/02)

Arylazides reacted with α-aminoacrylonitriles 1 (captodative olefins) to produce in excellant yields 5-amino-1-aryl-1,2,3-triazoles.HCN was spontaneously eliminated from the corresponding triazoline.Reaction of the same 1,3-dipoles with β-aminoacrylonitri

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