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1-(2-METHOXY-PHENYL)-BUTANE-1,3-DIONE, also known as 2-Methoxy-1-(2-oxobutyl)benzene, is a chemical compound with the molecular formula C12H14O3. It is a derivative of 2-Methylbenzene-1,3-dione and is characterized by its yellow crystalline solid appearance. 1-(2-METHOXY-PHENYL)-BUTANE-1,3-DIONE has a melting point of 108-110 degrees Celsius and a boiling point of 298 degrees Celsius. It is widely used in organic synthesis and as a reagent in the production of pharmaceuticals and other organic compounds, showcasing its versatility in organic chemistry.

29681-99-0

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29681-99-0 Usage

Uses

Used in Pharmaceutical Industry:
1-(2-METHOXY-PHENYL)-BUTANE-1,3-DIONE is used as a reagent for the synthesis of various pharmaceutical compounds. Its unique chemical structure allows it to participate in a range of organic reactions, making it a valuable component in the development of new drugs and medications.
Used in Chemical Industry:
In the chemical industry, 1-(2-METHOXY-PHENYL)-BUTANE-1,3-DIONE is utilized in organic synthesis for the production of a variety of organic compounds. Its versatility and reactivity contribute to the creation of different chemical products used in various applications, such as dyes, plastics, and other specialty chemicals.
Overall, 1-(2-METHOXY-PHENYL)-BUTANE-1,3-DIONE's applications in both the pharmaceutical and chemical industries highlight its importance in organic chemistry and its potential for further development and utilization in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 29681-99-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,9,6,8 and 1 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 29681-99:
(7*2)+(6*9)+(5*6)+(4*8)+(3*1)+(2*9)+(1*9)=160
160 % 10 = 0
So 29681-99-0 is a valid CAS Registry Number.
InChI:InChI=1/C11H12O3/c1-8(12)6-11(13)9-4-3-5-10(7-9)14-2/h3-5,7H,6H2,1-2H3

29681-99-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(3-methoxyphenyl)butane-1,3-dione

1.2 Other means of identification

Product number -
Other names m-methoxybenzoylacetone

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:29681-99-0 SDS

29681-99-0Relevant academic research and scientific papers

A General Proline-Catalyzed Synthesis of 4,5-Disubstituted N-Sulfonyl-1,2,3-Triazoles from 1,3-Dicarbonyl Compounds and Sulfonyl Azide

Rajasekar, Shanmugam,Anbarasan, Pazhamalai

supporting information, p. 4563 - 4567 (2019/11/03)

An efficient proline-catalyzed synthesis of 4,5-disubstituted-N-sulfonyl-1,2,3-triazoles has been accomplished from 1,3-dicarbonyl compounds and sulfonyl azides. The developed reaction is suitable for various symmetrical and unsymmetrical 1,3-dicarbonyl compounds, tolerates various functional groups and affords 4,5-disubstituted-N-sulfonyl-1,2,3-triazoles in good yield with excellent regioselectivity. Rhodium-catalyzed denitrogenative functionalization of 4,5-disubstituted-N-sulfonyl-1,2,3-triazoles further demonstrates their utility in organic synthesis.

Rhodium(ii)-catalysed generation of cycloprop-1-en-1-yl ketones and their rearrangement to 5-aryl-2-siloxyfurans

Marichev, Kostiantyn O.,Wang, Yi,Carranco, Alejandra M.,Garcia, Estevan C.,Yu, Zhi-Xiang,Doyle, Michael P.

, p. 9513 - 9516 (2018/08/28)

Donor-acceptor cyclopropenes formed from enoldiazoketones undergo catalytic rearrangement to 5-aryl-2-siloxyfurans via a novel mechanism that involves a nucleophilic addition of the carbonyl oxygen to the rhodium-activated cyclopropene.

Design, synthesis, and evaluation of multitarget-directed ligands against Alzheimer's disease based on the fusion of donepezil and curcumin

Yan, Jun,Hu, Jinhui,Liu, Anqiu,He, Lin,Li, Xingshu,Wei, Hui

, p. 2946 - 2955 (2017/05/25)

By fusing donepezil and curcumin, a novel series of compounds were obtained as multitarget-directed ligands against Alzheimer's disease. Among them, compound 11b displayed potent acetylcholinesterase (AChE) inhibition (IC50?=?187?nM) and the highest BuChE/AChE selectivity (66.3). Compound 11b also inhibited 45.3% Aβ1–42 self-aggregation at 20?μM and displayed remarkable antioxidant effects. The metal-chelating property of compound 11b was elucidated by determining the 1:1 stoichiometry for the 11b–Cu(II) complex. The excellent blood–brain barrier permeability of 11b also indicated the potential for the compound to penetrate the central nervous system.

O -Iodoxybenzoic Acid (IBX)-Iodine Mediated One-Pot Deacylative Sulfonylation of 1,3-Dicarbonyl Compounds: A Synthesis of β-Carbonyl Sulfones

Katrun, Praewpan,Songsichan, Teerawat,Soorukram, Darunee,Pohmakotr, Manat,Reutrakul, Vichai,Kuhakarn, Chutima

supporting information, p. 1109 - 1121 (2017/02/24)

A combination of o-iodoxybenzoic acid (IBX) and a catalytic amount of iodine is found to promote a facile one-pot deacylative sulfonylation reaction of 1,3-dicarbonyl compounds with sodium sulfinates to yield β-carbonyl sulfones. The present method provides the target products bearing a wide variety of functional groups in one step and in good yields.

Discovery and structure-activity relationships study of novel thieno[2,3-b]pyridine analogues as hepatitis C virus inhibitors

Wang, Ning-Yu,Zuo, Wei-Qiong,Xu, Ying,Gao, Chao,Zeng, Xiu-Xiu,Zhang, Li-Dan,You, Xin-Yu,Peng, Cui-Ting,Shen, Yang,Yang, Sheng-Yong,Wei, Yu-Quan,Yu, Luo-Ting

supporting information, p. 1581 - 1588 (2014/03/21)

Current treatment for hepatitis C is barely satisfactory, there is an urgent need to develop novel agents for combating hepatitis C virus infection. This study discovered a new class of thieno[2,3-b]pyridine derivatives as HCV inhibitors. First, a hit compound characterized by a thienopyridine core was identified in a cell-based screening of our privileged small molecule library. And then, structure activity relationship study of the hit compound led to the discovery of several potent compounds without obvious cytotoxicity in vitro (12c, EC50 = 3.3 μM, SI >30.3, 12b, EC50 = 3.5 μM, SI >28.6, 10l, EC50 = 3.9 μM, SI >25.6, 12o, EC 50 = 4.5 μM, SI >22.2, respectively). Although the mechanism of them had not been clearly elucidated, our preliminary optimization of this class of compounds had provided us a start point to develop new anti-HCV agents.

Synthesis of 5-acyl-3,4-dihydropyrimidine-2-thiones via solvent-free, solution-phase and solid-phase Biginelli procedures

Comas, Horacio,Buisson, David-Alexandre,Najman, Romain,Kozielski, Frank,Rousseau, Bernard,Lopez, Roman

scheme or table, p. 1737 - 1740 (2009/12/05)

Compounds belonging to the 5-acyl-3,4-dihydropyrimidine-2-thione family were obtained using a solvent-free Biginelli condensation with or without the use of a catalyst. An unprecedented solid-phase procedure involving a polymer-supported aldehyde allowed

U.V. Irradiation of 3-Substituted 2-Arylquinoxalines; Photocyclization to Indoloquinoxalines or Related Heterocyclic Systems

Atfah, Adnan,Abu-Shuheil, Muhammad Y.,Hill, John,Kotecha, Hema

, p. 247 - 261 (2007/10/02)

Upon irradiation in methanol in the presence of p-toluenesulphonic acid, a series of 2-aroyl-3-methylquinoxalines 8 (aroyl group = o-methyl-, p-methyl-, m-methoxy-, p-methoxy-, p-bromo-, and 2,5-dimethyl-benzoyl) underwent cyclisation to the corresponding

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