63936-02-7

Basic information

• Product Name: 1-isopropyl-1H-1,2,4-triazole
• Synonyms: 1-isopropyl-1H-1,2,4-triazole;1-(1-methylethyl)-1H-1,2,4-Triazole
• CAS NO: 63936-02-7
• Molecular Formula: C₅H₉N₃
• Molecular Weight: 111
• Mol File: 63936-02-7.mol

Chemical Properties

• Melting Point: 121-122℃
• Boiling Point: 75-76℃ (12 Torr)
• Appearance: /
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 1-isopropyl-1H-1,2,4-triazole(CAS DataBase Reference)
• NIST Chemistry Reference: 1-isopropyl-1H-1,2,4-triazole(63936-02-7)
• EPA Substance Registry System: 1-isopropyl-1H-1,2,4-triazole(63936-02-7)

Safety Data

• Hazardous Substances Data: 63936-02-7(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1-Isopropyl-1H-1,2,4-triazole is used as a pharmaceutical compound for its potential therapeutic applications. Its unique structure allows it to interact with biological targets, making it a candidate for the development of new drugs.
Used in Agrochemical Industry:
1-Isopropyl-1H-1,2,4-triazole is used as an agrochemical compound for its ability to protect crops from various pests and diseases. Its chemical properties enable it to be formulated into effective pesticides and fungicides, contributing to agricultural productivity.
Used in Chemical Research:
1-Isopropyl-1H-1,2,4-triazole is used as a research compound for its potential in the synthesis of new molecules and materials. Its reactivity and structural features make it a valuable tool in the exploration of novel chemical pathways and the development of advanced materials.

Upstream product

• 288-88-0 1,2,4-Triazole 
• 75-30-9 2-iodo-propane 
• 70629-60-6 isopropylhydrazine hydrochloride 
• 77287-34-4 formamide 

Downstream Products

• 153334-26-0 1-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-ethanone 
• 1227958-34-0 2-chloro-1-(2-isopropyl-2H-[1,2,4]triazol-3-yl)ethanone 
• 1401300-81-9 2-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)benzenesulfonamide 
• 1282517-74-1 5-[2-(4-bromo-2-fluoro-phenyl)-1H-imidazol-4-yl]-1-isopropyl-1H-[1,2,4]triazole 
• 1375075-10-7 2,6-bis{[N-isopropyl-N′-methylene]triazole-2-thione}pyridine 
• 1282516-06-6 10-(4-chlorophenyl)-2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine 
• 1282516-01-1 2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-10-phenyl-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine 
• 82969-62-8 (2-Chlorphenyl)-(4-fluorphenyl)-(2-isopropyl-1,2,4-triazol-3-yl)-(1,2,4-triazol-4-yl)-(3-trifluormethylenphenyl)methan 
• 82969-64-0 (2-Chlorphenyl)-(2-isopropyl-1,2,4-triazol-3-yl)-(1,2,4-triazol-1-yl)-(3-trifluormethylphenyl)methan 
• 82969-65-1 (4-Bromphenyl)-(2-chlorphenyl)-(2-isopropyl-1,2,4-triazol-3-yl)-(1,2,4-triazol-1-yl)methan 
• 82969-60-6 (2-Chlorphenyl)-(4-fluorphenyl)-(2-isopropyl-1,2,4-triazol-3-yl)-(1,2,4-triazol-1-yl)methan 
• 82969-70-8 2-Chlorphenyl-(2-isopropyl-1,2,4-triazol-3-yl)-(3-trifluormethylphenyl)methanol 
• 82969-88-8 5-[Chloro-(2-chloro-phenyl)-(3-trifluoromethyl-phenyl)-methyl]-1-isopropyl-1H-[1,2,4]triazole 

Relevant articles and documents

Development of a practical synthesis to PI3K α-selective inhibitor GDC-0326

A practical route to PI3K α-selective inhibitor GDC-0326 is reported. The synthesis leverages an existing scheme to a key tetracyclic benzoxazepine intermediate and optimizes it for robustness and scalability, including removing numerous undesired conditions and reagents, as well as eliminating chromatographic purification steps. The process endgame is streamlined to utilize a single-step, stereocontrolled alkylation of the key phenol with a chiral lactamide mesylate, followed by recrystallization of the lactamide ether product, to deliver the desired enantiomer of the active pharmaceutical ingredient (API) GDC-0326.

The Rational Design of Selective Benzoxazepin Inhibitors of the α-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (

Inhibitors of the class I phosphoinositide 3-kinase (PI3K) isoform PI3Kα have received substantial attention for their potential use in cancer therapy. Despite the particular attraction of targeting PI3Kα, achieving selectivity for the inhibition of this

AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES

Disclosed are compounds of Formula A and Formula A-1, or a salt thereof, and pharmaceutical formulations (pharmaceutical compositions) comprising those compounds, or a salt thereof; wherein "R1", "RA-1", "R2", "R3", and "Het" are defined herein above, which compounds are believed suitable for use in selectively antagonizing the A2a receptors, for example, those found in high density in the basal ganglia. Such compounds and pharmaceutical formulations are believed to be useful in treatment or management of neurodegenerative diseases, for example, Parkinson's disease, or movement disorders arising from use of certain medications used in the treatment or management of Parkinson's disease.

Silver complexes of 1,2,4-triazole derived N-heterocyclic carbenes: Synthesis, structure and reactivity studies

Two silver(I) complexes {[1-R-4-(N-t-butylacetamido)-1,2,4-triazol-5- ylidene]2Ag}+ Cl- [R = Et (1b), i-Pr (2b)] of N/O-functionalized N-heterocyclic carbenes derived from 1,2,4-triazoles are reported. The silver complexes, 1b and 2b, have been synthesized from the reaction of the N/O-functionalized triazolium chloride salts namely, 1-R-4-(N-t-butylacetamido)-1,2,4-triazolium chloride [R = Et (1a), i-Pr (2a)] by treatment with Ag2O in 53-56% yield. The 1,2,4-triazolium chloride salts 1a and 2a were prepared by the alkylation reaction of 1-R-1,2,4-triazole (R = Et, i-Pr) with N-t-butyl-2-chloro acetamide in 47-63% yield. The molecular structures of the silver(I) complexes, 1b and 2b, have been determined by X-ray diffraction studies. The density functional theory studies on the silver 1b and 2b complexes suggest that the 1,2,4-triazole derived N-heterocyclic carbenes to be strong σ-donating ligands similar to the now much recognized imidazolebased N-heterocyclic carbenes. The reactivity studies with (SMe 2)AuCl and (SMe2)CuBr indicated the silver complexes, 1b and 2b, to be good transmetallating agents. Indian Academy of Sciences.

BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES

The invention is directed to certain novel compounds. Specifically, the invention is directed to compounds of formula (I) and salts thereof. The compounds of the invention are inhibitors of PI3-kinase activity.

An investigation into the alkylation of 1,2,4-triazole

The alkylation of 1,2,4-triazole with 4-nitrobenzyl halides and a variety of bases afforded the 1- and 4-alkylated isomers with a consistent regioselectivity of 90:10. Previously reported regiospecific alkylations of 1,2,4-triazole were re-examined and the quoted isomer ratios were shown to depend on the isolation procedure. The use of DBU as base in the alkylation of 1,2,4-triazole allows for a convenient and high yielding synthesis of 1- substituted-1,2,4-triazoles. (C) 2000 Elsevier Science Ltd.

1,2,3-Benzothiadiazole derivatives

Novel 1,2,3-benzothiadiazole derivatives of the formula STR1 in which Het has the meanings set forth in the specification, and addition products thereof with an acid or metal salt are very effective for the control of undesired microorganisms. Novel intermediates of the formulae STR2 in which Het1 and R5 have the meanings given in the specification.

Chloropyridylcarbonyl derivatives

Novel chloropyridylcarbonyl derivatives of the formula STR1 in which Het is STR2 n is 1 or 2, R1 is hydrogen, optionally substituted C1-6 alkyl, optionally substituted C2-6 alkenyl, optionally substituted C3-6 alkynyl, optionally substituted phenyl or optionally substituted pyrimidinyl, and R2 and R3, independently of each other, are hydrogen or C1-4 alkyl, and acid addition salts and metal salt complexes thereof, are outstandingly active as microbicides.