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

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

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

• 288-88-0 1,2,4-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 
• 41253-21-8 sodium triazole 
• 43121-43-3 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one 
• 75-97-8 3,3-dimethyl-butan-2-one 
• 13547-70-1 1-chloro-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 
• 63190-87-4 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-one 
• 79174-30-4 C₁₅H₁₇N₃O 
• 79174-29-1 C₁₆H₁₉N₃O₂ 
• 1388149-79-8 C₁₉H₁₈Cl₂N₆O₂S 
• 1388149-78-7 C₂₀H₂₂N₆O₃S 
• 1388149-77-6 C₁₉H₁₉ClN₆O₂S 
• 1388149-76-5 C₂₁H₂₁Cl₂N₅O₂S 

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.

Translocation method of 3, 3-dimethyl-1-(1H-1, 3, 4-triazole-1-yl)butan-2-one

The invention relates to a transposition method of 3, 3-dimethyl-1-(1H-1, 3, 4-triazole-1-yl)butan-2-one. The method comprises the following step: carrying out a transposition reaction on 3, 3-dimethyl-1-(1H-1, 3, 4-triazole-1-yl)butan-2-one in a transposition solvent in the presence of a catalyst and an alkali A to obtain the 3, 3-dimethyl-1, 4-butan-2-one. The transposition method is simple in reaction, convenient to operate and high in transposition efficiency; and after transposition, the content of isomer 3, 3-dimethyl-1-(1H-1, 2, 4-triazole-1-yl)butan-2-one in the 3, 3-dimethyl-1-(1H-1,3, 4-triazole-1-yl)butan-2-one crude product is greatly reduced, and when the 3, 3-dimethyl-1-(1H-1, 2, 4-triazole-1-yl)butan-2-one is applied to the preparation mehdo 3, 3, 3, 3-dimethyl-1-triazole-1-yl)butan-2-one, the utilization rates of chloropinacolone and triazole are increased.

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.

Synthetic process of diniconazole

The invention discloses a synthetic process of diniconazole. The synthetic process of diniconazole includes steps of compounding pyrazolone hydrochloride by taking nitrogen triazole as raw materials; hydrolyzing pyrazolone hydrochloride and preparing pyrazolone; condensing pyrazolone to prepare ketene; water-washing and acidifying ketene to prepare ketene sulfate; hydrolyzing and reducing the ketene sulfate to obtain diniconazole. The synthetic process of diniconazole has the advantages of simple synthetic process, wide raw material source, low price, and high yield of the product diniconazole.

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)

A 3, 3 - dimethyl - 1 - (1 H - 1, 2, 4 - triazole - 1 - yl) d - 2 - ketone (by machine translation)

The invention discloses a 3, 3 - dimethyl - 1 - (1 H - 1, 2, 4 - triazole - 1 - yl) butan - 2 - one of the preparation method, in order to 4 - amino - 1, 2, 4 - triazole as raw material, in a polar solvent or a polar solvent and in the alkaline environment with a halogen frequency alkone reaction generating onium salt, then the diazotization reaction and hydrolysis to obtain compound 3, 3 - dimethyl - 1 - (1 H - 1, 2, 4 - triazole - 1 - yl) butan - 2 - one. The invention provides a brand new synthetic paclobutrazol intermediate 3, 3 - dimethyl - 1 - (1 H - 1, 2, 4 - triazole - 1 - yl) butan - 2 - one of the method, the method is simple in operation, and high safety factor, it is imperative for the effectively reduces the impurity content of by-products in the product, improve the intermediate 3, 3 - dimethyl - 1 - (1 H - 1, 2, 4 - triazole - 1 - yl) butan - 2 - one quality, to improve the quality of the final product of paclobutrazol, is suitable for marketing production. (by machine translation)

ABSCINAZOLE

A compound represented by formula (I) or a salt thereof has an inhibitory action on abscisic acid 8′-hydroxylase CYP707A. The compound or a salt thereof can be used as a plant growth regulator. wherein R is a C1-6 alkyl group, and the C1-6 alkyl group optionally have a substituent selected from the group consisting of a halogen atom and a C1-6 alkoxy group.

Triazole acetylene compound and application thereof

The invention discloses a triazole acetylene compound shown in the general formula I (please see the formula I in the description). R1 is alkyl, aryl and heteroaryl; R2 is H, halogen, CN, NO2, alkyl, halogenated alkyl, alkoxy and alkylthiol. The compound of the general formula I has excellent fungicidal activity and can be used for preventing and treating diseases.

A process for the preparation of paclobutrazol (by machine translation)

The invention relates to a preparation method for paclobutrazol. The preparation method comprises a step of subjecting a compound represented by a formula (I) to a reduction reaction under the action of a reducing agent so as to produce paclobutrazol; in the reduction reaction, the two function groups consisting of a double bond and a carbonyl group on the chain of the compound represented by the formula (I) are reduced into a single bond and a hydroxyl group, and paclobutrazol is obtained in one step; the chemical name of the compound represented by the formula (I) is 1-(4-chlorophenyl)-4,4-dimethyl-2-[1,2,4-triazolyl]-1-pentene-3-one. The preparation method provided by the invention has the advantages of simple process, convenient operation, high reaction yield, low production cost and no generation of waste water.

And its application epoxytriazole compd.

PROBLEM TO BE SOLVED: To provide a novel compound useful as an active ingredient of a cell differentiation promoter such as a rooting promoter, and to provide a rooting method and a rooting medium using a cell differentiation promoter containing the compound for improving the productivity of clone seedlings by a cuttage method, a tissue culture method or the like. SOLUTION: This invention relates to: (±)-E-1-(benzo[d][1,3]dioxole-5-yl)-4,4-dimethyl-2-(1H-1,2,4-triazole-1-yl)penta-1-en-3-ol; a cell differentiation promoter and an auxin activity promoter containing the compound as an active ingredient; a rooting medium of plant shoots containing the cell differentiation promoter or the auxin activity promoter; and a method for producing clone seedlings using the cell differentiation promoter, the auxin activity promoter or the rooting medium. COPYRIGHT: (C)2013,JPOandINPIT