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115-22-0

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115-22-0 Usage

Chemical Properties

CLEAR COLOURLESS TO LIGHT YELLOW LIQUID

Uses

3-Hydroxy-3-methyl-2-butanone used to produce 2,5-dihydroxy-2-methyl-heptan-3-one, laboratory chemicals.

Application

3-Hydroxy-3-methyl-2-butanone is an alpha-hydroxy ketone compound. It can be used as a biologically active natural product and a pharmaceutical intermediate, and as a photoinitiator in UV-curable coatings. At the same time, α-hydroxyketone structural units are also widely used synthons in organic synthesis. Hydroxyl can be used as a mild reaction precursor for double bonds, ester groups, carbonyl groups, halogenated hydrocarbons and other groups. Carbonyl can be used as the reaction precursor of hydroxyl, amino, alkyl and other groups. Therefore, α-hydroxyketone compounds are a class of compounds with important application value.

Preparation

synthesis of 3-Hydroxy-3-methyl-2-butanone: 19ml of concentrated sulfuric acid (98wt%) was slowly mixed with 100ml of water, then 13g of yellow mercury oxide was added within 1.5h, 84g (1.0mol) of 2-methyl-3-butyn-2-ol was added dropwise to the sulfuric acid solution containing mercury oxide at 65-75°C, Then the reaction was stirred at 65-75°C for 30min, cooled to room temperature after the reaction was completed, the reaction product was subjected to suction filtration, the filtrate after suction filtration was extracted with ether (3×20ml), and the organic phase after extraction was water and hydrogen carbonate respectively. Washed with sodium solution, the washed organic phase was dried with anhydrous magnesium sulfate, and then filtered, the filtered filtrate was concentrated by rotary evaporation and then distilled, and the 140°C fraction was collected, 45.6 g of light yellow liquid was obtained as 3-hydroxy-3-methyl-2-butanone, and the yield was 32.2%.

Check Digit Verification of cas no

The CAS Registry Mumber 115-22-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,1 and 5 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 115-22:
(5*1)+(4*1)+(3*5)+(2*2)+(1*2)=30
30 % 10 = 0
So 115-22-0 is a valid CAS Registry Number.
InChI:InChI=1/C6H12O2/c1-4-6(3,8)5(2)7/h8H,4H2,1-3H3

115-22-0 Well-known Company Product Price

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  • Alfa Aesar

  • (43724)  3-Hydroxy-3-methyl-2-butanone, 90+%   

  • 115-22-0

  • 5g

  • 260.0CNY

  • Detail
  • Alfa Aesar

  • (43724)  3-Hydroxy-3-methyl-2-butanone, 90+%   

  • 115-22-0

  • 25g

  • 1013.0CNY

  • Detail
  • Alfa Aesar

  • (43724)  3-Hydroxy-3-methyl-2-butanone, 90+%   

  • 115-22-0

  • 100g

  • 3586.0CNY

  • Detail

115-22-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Hydroxy-3-methyl-2-butanone

1.2 Other means of identification

Product number -
Other names 2-Butanone, 3-hydroxy-3-methyl-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:115-22-0 SDS

115-22-0Relevant articles and documents

Synthesis and characterization of ZrO2 as acid-basic catalysts: Reactivity of 2-methyl-3-butyn-2-ol

Aramendia, M. Angeles,Borau, Victoriano,Jimenez, Cesar,Marinas, Jose M.,Marinas, Alberto,Porras, Andres,Urbano, Francisco J.

, p. 240 - 250 (1999)

Two ZrO2-based catalysts have been synthesized by thermal treatment of a gel prepared from ZrOCl2 · 8H2O. The effect of different preparation parameters on the final properties of the solids was studied. Textural characterization was carried out from nitrogen adsorption/desorption isotherms. XRD and FT-Raman spectroscopy have been used to elucidate the physical state of the catalysts. Their acid-base properties were studied following temperature programmed desorption-mass spectrometry and diffuse reflectance infrared Fourier transform techniques, by using pyridine, 2,6-dimethylpyridine and carbon dioxide as probe molecules. Both solids were tested for the 2-methyl-3-butyn-2-ol reaction by using two different procedures: (a) in a microcatalytic pulse reactor and (b) through isotherm and temperature programmed surface reactions in a flow reactor. In addition, temperature programmed oxidation and temperature programmed desorption experiments revealed that catalyst deactivation was caused by carbon deposition on the catalytic surface. Amphoteric selectivity for both solids, leading to 3-hydroxy-3-methyl-2-butanone and 3-methyl-3-buten-2-one, depends on the reaction temperature; thus, it is 92% at 225°C for a catalyst calcined at 400°C (ZrO2-400VAC).

Hydrolysis of methylacetoin ethyl phosphate. competing pathways for carbonyl hydrate participation in a model for biotin carboxylation

Taylor, Scott D.,Kluger, Ronald

, p. 867 - 871 (1993)

Methylacetoin ethyl phosphate (1) is a phosphodiester with a carbonyl group β to phosphorus. The phosphate ester of a carbonyl hydrate, expected to be generated from an intramolecular reaction of 1 in base, is a model for an enzymic reaction intermediate which would form from the reaction of the tetrahedral addition production of biotin and bicarbonate with ATP. The hydrolysis of 1 is 104-105 times more rapid than that of dimethyl phosphate, extrapolated to common conditions (1 M NaOH, 55°C). Kinetic, product, and isotope labeling studies show that the hydrate of the carbonyl group of 1 serves as an intramolecular nucleophile toward phosphorus, forming the expected phosphate ester of the carbonyl hydrate through cyclic phosphorane intermediates. These adducts decompose by routes which parallel the proposed enzymic mechanism. In addition, solvent isotope incorporation reveals a route not found in reactions of carbonyl-substituted phosphotriesters: the conjugate base of the carbonyl hydrate acts an intramolecular nucleophile at the adjacent carbon atom, forming an unstable hydroxyoxirane (which becomes methylacetoin) and ethyl phosphate. An analogous reaction of ribonucleic acids (and RNAzymes) would have the 2′ hydroxyl group react at the 3′ carbon to form an oxyoxirane, cleaving the 3′ internucleotide bond.

Nonlinear optical chromophores based on Dewar's rules: Enhancement of electro-optic activity by introducing heteroatoms into the donor or bridge

Xu, Huajun,Yang, Dan,Liu, Fenggang,Fu, Mingkai,Bo, Shuhui,Liu, Xinhou,Cao, Yuan

, p. 29679 - 29688 (2015)

In this work, we investigated the enhancement of the electro-optic response by introducing electron-rich heteroatoms as additional donors into the donor or bridge of a conventional second-order nonlinear optical chromophore. A series of chromophores C2-C4 based on the same tricyanofuran acceptor (TCF) but with different heteroatoms in the alkylamino phenyl donor (C2 or C3) or thiophene bridge (C4) have been synthesized and systematically investigated. Density functional theory calculations suggested that chromophores C2-C4 had a smaller energy gap and larger first-order hyperpolarizability (β) than traditional chromophore C1 due to the additional heteroatoms. Single crystal structure analyses and optimized configurations indicate that the rationally introduced heteroatom group would bring larger β and weaker intermolecular interactions which were beneficial for translating molecular β into macro-electro-optic activity in electric field poled films. The electro-optic coefficient of poled films containing 25 wt% of these new chromophores doped in amorphous poly-carbonate afforded values of 83 and 91 pm V-1 at 1310 nm for chromophores C3 and C4, respectively, which are two times higher than that of the traditional chromophore C1 (39 pm V-1). High r33 values indicated that introducing heteroatoms to the donor and bridge of a conventional molecular structure can efficiently improve the electron-donating ability, which improves the β. The long-chain on the donor or bridge part, acting as the isolation group, may reduce inter-molecular electrostatic interactions, thus enhancing the macroscopic EO activity. These results, together with good solubility and compatibility with the polymer, show the new chromophore's potential application in electro-optic devices.

α-Oxidation of ketones using n-cation radicals

Schulz, Manfred,Kluge, Ralph,Sivilai, Li,Kamm, Birgit

, p. 2371 - 2380 (1990)

Six-membered ring ketones and acyclic ketones were oxidized by stable triarylamminium radical cations in moist acetonitrile at room temperature in the presence of a base to α-hydroxy ketones in good yield. Five-membered ring ketones gave the corresponding αβ-unsaturated compounds.

Boller,Whitfield

, p. 2773,2775 (1964)

-

Chiu,S.K. et al.

, p. 61 - 65 (1978)

-

A CO2-mediated base catalysis approach for the hydration of triple bonds in ionic liquids

Han, Buxing,Ke, Zhengang,Li, Ruipeng,Liu, Zhimin,Tang, Minhao,Wang, Yuepeng,Zeng, Wei,Zhang, Fengtao,Zhao, Yanfei

supporting information, p. 9870 - 9875 (2021/12/27)

Herein, we report a CO2-mediated base catalysis approach for the activation of triple bonds in ionic liquids (ILs) with anions that can chemically capture CO2 (e.g., azolate, phenolate, and acetate), which can achieve hydration of triple bonds to carbonyl chemicals. It is discovered that the anion-complexed CO2 could abstract one proton from proton resources (e.g., IL cation) and transfer it to the CN or CC bonds via a six-membered ring transition state, thus realizing their hydration. In particular, tetrabutylphosphonium 2-hydroxypyridine shows high efficiency for hydration of nitriles and CC bond-containing compounds under a CO2 atmosphere, affording a series of carbonyl compounds in excellent yields. This catalytic protocol is simple, green, and highly efficient and opens a new way to access carbonyl compounds via triple bond hydration under mild and metal-free conditions.

Thermodynamic favorable CO2 conversion via vicinal diols and propargylic alcohols: A metal-free catalytic method

Han, Li-Hua,Li, Jing-Yuan,Song, Qing-Wen,Zhang, Kan,Zhang, Qian-Xia,Sun, Xiao-Fang,Liu, Ping

supporting information, p. 341 - 344 (2019/07/04)

Organocatalysis represents a promising field in chemical fixation of CO2. Herein, a facile metal-free strategy was reported for the one-pot preparation of cyclic carbonates and α-hydroxy ketones from vicinal diols, propargylic alcohols and CO2. Wide scope of vicinal diols and propargylic alcohols was demonstrated to be efficient under the DBU-catalyzed conditions. A plausible mechanism was proposed, which included detailed main and side reactions under the metal-free conditions.

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