58905-32-1

Basic information

• Product Name: 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
• Synonyms: 3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-2-one;3,3-DIMETHYL-1-(1H-1,2,4-TRIAZOLE-1-YL)-2-BUTANONE;1,2,4-TRIAZLOE -3,3-DIMETHYL-BUTANONE;3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone;1,2,4-Triazol-1-ylpinacolin;Einecs 261-489-6;3,3-dimethyl-1-(1,2,4-triazole)-2-butanone;3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one(WXC09032)
• CAS NO: 58905-32-1
• Molecular Formula: C₈H₁₃N₃O
• Molecular Weight: 167.21
• EINECS: 261-489-6
• Mol File: 58905-32-1.mol
• Article Data: 24

Chemical Properties

• Melting Point: 62-64 °C
• Boiling Point: 283.3 °C at 760 mmHg
• Flash Point: 125.1 °C
• Appearance: /
• Density: 1.09g/cm³
• Vapor Pressure: 0.00319mmHg at 25°C
• Refractive Index: 1.536
• Storage Temp.: Room Temperature
• Solubility: Chloroform; Ethyl Acetate; Methanol
• PKA: 2.37±0.10(Predicted)
• CAS DataBase Reference: 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one(58905-32-1)
• EPA Substance Registry System: 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one(58905-32-1)

Safety Data

• Hazardous Substances Data: 58905-32-1(Hazardous Substances Data)

Usage

Description

3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one is an organic compound that serves as an intermediate in the synthesis of Paclobutrazol-(phenyl-d4), a labeled version of the triazole fungicide Paclobutrazol (P133000). 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one plays a crucial role in the development of plant growth retardants, specifically by targeting gibberellin biosynthesis.

Uses

Used in Agricultural Industry:
3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one is used as an intermediate in the synthesis of Paclobutrazol, a triazole fungicide. Its application is primarily for its role as a plant growth retardant, which helps in inhibiting gibberellin biosynthesis. This process is essential for controlling plant growth and development, making it a valuable tool in agriculture for managing plant size and improving crop quality.
Used in Chemical Synthesis:
In the field of chemical synthesis, 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one is utilized as a key component in the production of Paclobutrazol-(phenyl-d4). This labeled version of Paclobutrazol is beneficial for research purposes, allowing scientists to study the compound's properties and effects on plant growth and development in a controlled manner.

InChI:InChI=1/C8H13N3O/c1-8(2,3)7(12)4-11-6-9-5-10-11/h5-6H,4H2,1-3H3

Upstream product

• 13547-70-1 1-chloro-3,3-dimethyl-butan-2-one 
• 43121-43-3 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one 
• 41253-21-8 sodium triazole 
• 5469-26-1 1-Bromopinacolon 
• 118227-31-9 4-Amino-1-(3,3-dimethyl-2-oxo-butyl)-4H-[1,2,4]triazol-1-ium; bromide 
• 288-88-0 1,2,4-Triazole 
• 75-97-8 3,3-dimethyl-butan-2-one 

Downstream Products

• 103026-58-0 4-(4-Chloro-benzyl)-1-(3,3-dimethyl-2-oxo-butyl)-4H-[1,2,4]triazol-1-ium; bromide 
• 104940-88-7 4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-one 
• 69753-20-4 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-one 
• 69752-83-6 1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-one 
• 63190-87-4 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-one 
• 1218949-45-1 (E)-8-(4-fluorophenyl)-2,2-dimethyl-4-[1,2,4]triazol-1-yloct-7-en-3-one 
• 1215754-85-0 7-(3-chloro-2-fluorobenzyloxy)-2,2-dimethyl-4-[1,2,4]triazol-1-yl-heptan-3-one 
• 83657-24-3 diniconazole 
• 1219025-84-9 8-(2-fluorophenyl)-2,2,6-trimethyl-4-(1H-1,2,4-triazol-1-yl)-octan-3-one 
• 1219025-73-6 2,2,8-trimethyl-8-phenyl-4-[1,2,4]triazolan-1-ylnonan-3-one 
• 149177-22-0 1-(3,3-dimethyl-2-oxobutyl)-4-(benzyl)-1,2,4-triazolium bromide 
• 85674-49-3 3,3-dimethyl-1-(3-methoximinomethyl-phenoxy)-1-(1,2,4-triazol-1-yl)-butan-2-one 
• 103026-70-6 C₁₅H₁₈ClN₃O 
• 103026-64-8 5-Amino-1-p-chlorbenzyl-4-pivaloylimidazol 

Relevant articles and documents

Cocrystallization-Induced Spontaneous Deracemization: A General Thermodynamic Approach to Deracemization

Processes leading to enantiomerically pure compounds are of utmost importance, in particular for the pharmaceutical industry. Starting from a racemic mixture, crystallization-induced diastereomeric transformation allows in theory for 100 percent transformation of the desired enantiomer. However, this method has the inherent limiting requirement for the organic compound to form a salt. Herein, this limitation is lifted by introducing cocrystallization in the context of thermodynamic deracemization, with the process applied to a model chiral fungicide. We report a new general single thermodynamic deracemization process based on cocrystallization for the deracemization of (R,S)-4,4-dimethyl-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)pentan-3-one. This study demonstrates the feasibility of this novel approach and paves the way to further development of such processes.

A including wo carboxylic acid ester compound and use thereof

The invention belongs to the field of agricultural herbicides, and concretely relates to an oxime-containing carboxylate compound and a use thereof. The oxime-containing carboxylate compound is represented by general formula (I), has very good weeding activity, can effectively control barnyard grass, piemarker, setaria viridis, Zinnia elegans and other weeds, realizes a very good weeding effect under a low dosage, is highly safe to crops, is especially safe to corn and rice (post-emergence), and can be used as a herbicide in the agricultural field.

A multi-paclobutrazol hapten and its preparation method and application (by machine translation)

The invention discloses a hapten and its preparation method and application, in particular to a multiple paclobutrazol haptens. The invention also discloses a plurality of paclobutrazol semi-antigen preparation method and its application. The present invention provides the paclobutrazol semi-antigen not only retains the maximum extent of multi-chemical structure, but also by chemical synthetic transformation introduce protein can be coupled with - COOH, the synthetic method is simple, purity, high yield; for this half-antigen as the raw material, preparation for animal immune antigen system immune animal, the resulting antibody titer, specificity, affinity are better; the resulting antibody can be used in enzyme-linked immunoassay kit, easy to use, and the cost is low, detection method efficient, accurate, fast, can simultaneously detect the mass of the sample, is suitable for the soil and the fruit in the food residue of multi-site monitoring and the screening of a large number of samples. The invention the paclobutrazol semi-antigen of multi-play an important role in the detection of. (by machine translation)