64882-52-6

Basic information

• Product Name: 1-(1H-1,2,4-TRIAZOL-1-YL)ACETONE
• Synonyms: 1-(1H-1,2,4-TRIAZOL-1-YL)ACETONE;1-[1,2,4]TRIAZOL-1-YL-PROPAN-2-ONE;AKOS TUR-0079;ALINDA 16678;ART-CHEM-BB B036374;CBI-BB ZERO/009594;1-(1H-1,2,4-triazol-1-yl)acetone(SALTDATA: HCl);1-(1H-1,2,4-triazol-1-yl)propan-2-one
• CAS NO: 64882-52-6
• Molecular Formula: C₅H₇N₃O
• Molecular Weight: 125.13
• Mol File: 64882-52-6.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 262.373°C at 760 mmHg
• Flash Point: 112.48°C
• Appearance: /
• Density: 1.24g/cm³
• Vapor Pressure: 0.011mmHg at 25°C
• Refractive Index: 1.584
• CAS DataBase Reference: 1-(1H-1,2,4-TRIAZOL-1-YL)ACETONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(1H-1,2,4-TRIAZOL-1-YL)ACETONE(64882-52-6)
• EPA Substance Registry System: 1-(1H-1,2,4-TRIAZOL-1-YL)ACETONE(64882-52-6)

Safety Data

• Hazardous Substances Data: 64882-52-6(Hazardous Substances Data)

Usage

General Description

1-(1H-1,2,4-TRIAZOL-1-YL)ACETONE, also known as TTA, is a chemical compound with the molecular formula C5H7N3O. It is a ketone compound containing a 1,2,4-triazole ring, and is commonly used as a chelating agent in coordination chemistry. TTA has been used in various industrial applications, including as an inhibitor for the corrosion of copper and as a stabilizer in the processing of plastic and rubber. Additionally, it has been studied for its potential pharmaceutical properties, such as its antimicrobial and antioxidant effects. Overall, TTA is a versatile chemical that finds use in a variety of fields due to its unique chemical structure and properties.

InChI:InChI=1/C5H7N3O/c1-5(9)2-8-4-6-3-7-8/h3-4H,2H2,1H3

Upstream product

• 288-88-0 1,2,4-Triazole 
• 598-31-2 1-bromoacetone 
• 126961-70-4 4-Amino-1-(2-oxo-propyl)-4H-[1,2,4]triazol-1-ium; bromide 
• 78-95-5 chloroacetone 

Downstream Products

• 104940-87-6 3-[1,2,4]Triazol-1-yl-but-3-en-2-one 

Relevant articles and documents

Repurposing the Clinically Efficacious Antifungal Agent Itraconazole as an Anticancer Chemotherapeutic

Itraconazole (ITZ) is an FDA-approved member of the triazole class of antifungal agents. Two recent drug repurposing screens identified ITZ as a promising anticancer chemotherapeutic that inhibits both the angiogenesis and hedgehog (Hh) signaling pathways. We have synthesized and evaluated first- and second-generation ITZ analogues for their anti-Hh and antiangiogenic activities to probe more fully the structural requirements for these anticancer properties. Our overall results suggest that the triazole functionality is required for ITZ-mediated inhibition of angiogenesis but that it is not essential for inhibition of Hh signaling. The synthesis and evaluation of stereochemically defined des-triazole ITZ analogues also provides key information as to the optimal configuration around the dioxolane ring of the ITZ scaffold. Finally, the results from our studies suggest that two distinct cellular mechanisms of action govern the anticancer properties of the ITZ scaffold.

REGIOSPECIFIC SYNTHESIS OF ARYL- AND ALKYL-(1,2,4-TRIAZOL-1-YLMETHYL)KETONES

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